cedronin, 111567-19-2

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CAS Number:	111567-19-2	3D/inchi
FDA UNII:	Search
XlogP3-AA:	-1.00 (est)
Molecular Weight:	364.39468000
Formula:	C19 H24 O7
BioActivity Summary:	listing
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:	654.94 °C. @ 760.00 mm Hg (est)
Flash Point:	463.00 °F. TCC ( 239.20 °C. ) (est)
logP (o/w):	-1.157 (est)
Soluble in:
	water, 3906 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 cedronin usage levels up to:
	not for fragrance use.

Recommendation for cedronin 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 :183337

National Institute of Allergy and Infectious Diseases:Data

Chemidplus:0111567192

References:

NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	183337
Pubchem (sid):	135087596

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
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Potential Blenders and core components note

None Found

Potential Uses:

None Found

Occurrence (nature, food, other):note

found in nature

Synonyms:

	cedronine
	cedronine stereoisomer
(1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-1,7,7a,11	hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-2H-5a,2,5-(methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione

Articles:

PubMed:Quassinoids from the leaves of the Madagascan Simaroubaceae Samadera madagascariensis.

PubMed:Cymosanine, a novel C19-quassinoid from Simaba subcymosa.

PubMed:Antimalarial activity of cedronin.

Notes:

a quassinoid with a c19 basic skeleton; isolated from simaba cedron.

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cedronin (1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-1,7,7a,11hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-2H-5a,2,5-(methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione

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Articles:

cedronin
(1alpha,2alpha,5alpha,5aalpha,6beta,7abeta,11alpha,11aalpha,11bbeta,14S*))-1,7,7a,11hexahydro-1,6,11-trihydroxy-8,11,14-trimethyl-2H-5a,2,5-(methanoxymethano)naphth(1,2-d)oxepin-4,10(5H,6H)-dione