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13-epimanoyl oxide
(3S,4aR,10aS,10bS)-3,4a,7,7,10a-pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromene

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CAS Number:	1227-93-6	3D/inchi
FDA UNII:	Search
XlogP3-AA:	5.90 (est)
Molecular Weight:	290.49018000
Formula:	C20 H34 O
NMR Predictor:	Predict (works with chrome, Edge or firefox)

Category:natural substances and extractives

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

Google Scholar:	Search
Google Books:	Search
Google Scholar: with word "volatile"	Search
Google Scholar: with word "flavor"	Search
Google Scholar: with word "odor"	Search
Google Patents:	Search
US Patents:	Search
EU Patents:	Search
Pubchem Patents:	Search
PubMed:	Search
NCBI:	Search

Physical Properties:

Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Boiling Point:	338.60 °C. @ 760.00 mm Hg (est)
Flash Point:	311.00 °F. TCC ( 154.80 °C. ) (est)
logP (o/w):	7.180 (est)
Soluble in:
	water, 0.04131 mg/L @ 25 °C (est)

Organoleptic Properties:

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

None found

Safety Information:


Hazards identification

Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements

Pictogram

Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
natural substances and extractives
Recommendation for 13-epimanoyl oxide usage levels up to:
	not for fragrance use.

Recommendation for 13-epimanoyl oxide flavor usage levels up to:
	not for flavor use.

Safety References:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :18529657

National Institute of Allergy and Infectious Diseases:Data

(3S,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene

References:

	(3S,4aR,10aS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	18529657
Pubchem (sid):	30637437
Pherobase:	View

Other Information:

(IUPAC):	Atomic Weights of the Elements 2011 (pdf)
Videos:	The Periodic Table of Videos
tgsc:	Atomic Weights use for this web site
(IUPAC):	Periodic Table of the Elements
HMDB (The Human Metabolome Database):	Search
Typical G.C.
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

	cistus oil @ 0.3% Data GC Search Trop Picture
	found in nature
	rhizophora mangle bark oil cuba @ 9.60% Data GC Search Trop Picture
	salvia sclarea oil greece @ 0.15% Data GC Search Trop Picture
	salvia sclarea oil spain @ 1.14% Data GC Search Trop Picture

Synonyms:

(3S,4aR,10aS)-3-	ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
13-epi-	manoyl oxide
(3S,4aR,10aS,10bS)-3,4a,7,7,10a-	pentamethyl-3-vinyldodecahydro-1H-benzo[f]chromene

Articles:

PubMed:Low-volatile lipophilic compounds in needles, defoliated twigs, and outer bark of Pinus thunbergii.

PubMed:Growth inhibiting activity of volatile oil from Cistus creticus L. against Borrelia burgdorferi s.s. in vitro.

PubMed:Morphological, chemical and genetic differentiation of two subspecies of Cistus creticus L. (C. creticus subsp. eriocephalus and C. creticus subsp. corsicus).

PubMed:ent-rosane and labdane diterpenoids from Sagittaria sagittifolia and their antibacterial activity against three oral pathogens.

PubMed:Manoyl oxide diterpenoids from Grindelia scorzonerifolia.

PubMed:Phaeoside, a novel galactoside of hydroxymanoyl oxide from the gibberellin A1-producing Phaeosphaeria sp. L487.

PubMed:Biotransformation of ent-13-epi-manoyl oxides difunctionalized at C-3 and C-12 by filamentous fungi.

PubMed:The biotransformation of the diterpene 2beta-hydroxy-ent-13-epi-manoyl oxide by Gibberella fujikuroi.

PubMed:A simple and rapid method for the differentiation of C-13 manoyl oxide epimers in biologically important samples using GC-MS analysis supported with NMR spectroscopy and computational chemistry results.

PubMed:Manoyl oxide alpha-arabinopyranoside and grindelic acid diterpenoids from Grindelia integrifolia.

PubMed:New hemisynthetic manoyl oxide derivatives with antimicrobial activity.

PubMed:Labdane type diterpenes down-regulate the expression of c-Myc protein, but not of Bcl-2, in human leukemia T-cells undergoing apoptosis.

PubMed:Essential oils and hexane extracts from leaves and fruits of Cistus monspeliensis. Cytotoxic activity of ent-13-epi-manoyl oxide and its isomers.

PubMed:Five diterpenoids (agallochins A-E) from the mangrove plant Excoecaria agallocha Linn.

PubMed:Chemical analysis and antimicrobial studies on three species of Ferulago from Greece.

PubMed:Cytotoxic activity and antiproliferative effects of a new semi-synthetic derivative of Ent-3 beta-hydroxy-13-epi-manoyl oxide on human leukemic cell lines.

PubMed:Immunosuppressive diterpenoids from Tripterygium wilfordii.

PubMed:Composition and antimicrobial activity of the essential oil of Cistus creticus subsp. eriocephalus.

PubMed:Natural Metabolites of ent-13-epi-Manoyl Oxide and Other Cytotoxic Diterpenes from the Resin "LADANO" of Cistus creticus.

PubMed:Chemical-microbiological synthesis of ent-13-epi-manoyl oxides with biological activities.

Notes:

None found

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