CAFESTOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H28O3
Molecular Weight	316.4345
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]3(C[C@]1(O)CO)CC[C@]4([H])C5=C(CC[C@@]4(C)[C@]3([H])CC2)OC=C5

InChI

InChIKey=DNJVYWXIDISQRD-HWUKTEKMSA-N

InChI=1S/C20H28O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h6,9,13,15,17,21-22H,2-5,7-8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H28O3
Molecular Weight	316.4345
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:39:37 UTC 2023` Edited by `admin` on `Fri Dec 15 18:39:37 UTC 2023`
Record UNII	AC465T6Q6W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CAFESTOL

Common Name

English

5A,8-METHANO-5AH-CYCLOHEPTA(5,6)NAPHTHO(2,1-B)FURAN-7-METHANOL, 3B,4,5,6,7,8,9,10,10A,10B,11,12-DODECAHYDRO-7-HYDROXY-10B-METHYL-, (3BS-(3B.ALPHA.,5A.BETA.,7.BETA.,8.BETA.,10A.ALPHA.,10B.BETA.))-

Common Name

English

CAFESTEROL

Common Name

English

CAFESTOL [MI]

Common Name

English

Code System Code Type Description

FDA UNII

AC465T6Q6W