3,8-DIMETHYL-5-PROP-1-EN-2-YL-3,4,5,6,7,8-HEXAHYDRO-2H-AZULEN-1-ONE, (3S,5R,8S)-

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22O
Molecular Weight	218.3346
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,8-DIMETHYL-5-PROP-1-EN-2-YL-3,4,5,6,7,8-HEXAHYDRO-2H-AZULEN-1-ONE, (3S,5R,8S)-

Structure Search

SMILES

C[C@H]1CC(=O)C2=C1C[C@@H](CC[C@@H]2C)C(C)=C

InChI

InChIKey=NUWMTBMCSQWPDG-SDDRHHMPSA-N

InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)15-13(8-12)11(4)7-14(15)16/h10-12H,1,5-8H2,2-4H3/t10-,11-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H22O
Molecular Weight	218.3346
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:51:10 GMT 2023` Edited by `admin` on `Sat Dec 16 14:51:10 GMT 2023`
Record UNII	U33H52BQ0P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,8-DIMETHYL-5-PROP-1-EN-2-YL-3,4,5,6,7,8-HEXAHYDRO-2H-AZULEN-1-ONE, (3S,5R,8S)-

Systematic Name

English

GUAIA-1(5),11-DIEN-2-ONE, (-)-

Systematic Name

English

FEMA NO. 4867

Code

English

Code System Code Type Description

WIKIPEDIA

Rotundone

Created by admin on Sat Dec 16 14:51:10 GMT 2023 , Edited by admin on Sat Dec 16 14:51:10 GMT 2023

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CAS

18374-76-0

Created by admin on Sat Dec 16 14:51:10 GMT 2023 , Edited by admin on Sat Dec 16 14:51:10 GMT 2023

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FDA UNII

U33H52BQ0P

Created by admin on Sat Dec 16 14:51:10 GMT 2023 , Edited by admin on Sat Dec 16 14:51:10 GMT 2023

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PUBCHEM

5321003

Created by admin on Sat Dec 16 14:51:10 GMT 2023 , Edited by admin on Sat Dec 16 14:51:10 GMT 2023

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EPA CompTox

DTXSID301030485

Created by admin on Sat Dec 16 14:51:10 GMT 2023 , Edited by admin on Sat Dec 16 14:51:10 GMT 2023

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