16-O-METHYLCAFESTOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H30O3
Molecular Weight	330.4611
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CO[C@]1(CO)C[C@]23C[C@H]1CC[C@H]2[C@]4(C)CCC5=C(C=CO5)[C@H]4CC3

InChI

InChIKey=BDVVNPOGDNWUOI-GVOJMRIRSA-N

InChI=1S/C21H30O3/c1-19-8-6-17-15(7-10-24-17)16(19)5-9-20-11-14(3-4-18(19)20)21(12-20,13-22)23-2/h7,10,14,16,18,22H,3-6,8-9,11-13H2,1-2H3/t14-,16-,18+,19-,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H30O3
Molecular Weight	330.4611
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 `Mon Mar 31 18:17:13 GMT 2025` Edited by `admin` on `Mon Mar 31 18:17:13 GMT 2025`
Record UNII	TJ95S36BVX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

16-O-METHYL-CAFESTOL

Preferred Name

English

16-O-METHYLCAFESTOL

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-METHOXY-10B-METHYL-, (3BS,5AS,7R,8R,10AR,10BS)-

Systematic Name

English

[(1S,4S,12S,13R,16R,17R)-17-methoxy-12-methyl-8-oxapentacyclo[14.2.1.0{1,13}.0{4,12}.0{5,9}]nonadeca-5(9),6-dien-17-yl]methanol

Systematic Name

English

(3BS,5AS,7R,8R,10AR,10BS)-3B,4,5,6,7,8,9,10,10A,10B,11,12-DODECAHYDRO-7-METHOXY-10B-METHYL-5A,8-METHANO-5AH-CYCLOHEPTA(5,6)NAPHTHO(2,1-B)FURAN-7-METHANOL

Systematic Name

English

Code System Code Type Description

FDA UNII

TJ95S36BVX