MECIGESTONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H38O2
Molecular Weight	382.5787
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])C[C@H](C)C5=CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1(CCCC2)C(C)=O

InChI

InChIKey=OAICPORQJIVREU-SGCXAXHESA-N

InChI=1S/C26H38O2/c1-16-13-20-21(24(3)11-8-19(28)15-22(16)24)9-12-25(4)23(20)14-18-7-5-6-10-26(18,25)17(2)27/h15-16,18,20-21,23H,5-14H2,1-4H3/t16-,18+,20+,21-,23-,24+,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H38O2
Molecular Weight	382.5787
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:35 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:35 GMT 2023`
Record UNII	N3UWJ2K7NF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MECIGESTONE

Common Name

English

Pentarane B

Common Name

English

(6α,16β,17α)-17-Acetyl-6-methyl-16,24-cyclo-21-norchol-4-en-3-one

Systematic Name

English

(4aR,4bS,6aS,6bS,10aR,11aS,11bR,13S)-6b-Acetyl-4a,6a,13-trimethyl-3,4,4a,4b,5,6,6a,6b,7,8,9,10,10a,11,11a,11b,12,13-octadecahydro-2H-indeno[2,1-a]phenanthren-2-one

Systematic Name

English

16,24-Cyclo-21-norchol-4-en-3-one, 17-acetyl-6-methyl-, (6α,16β,17α)-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Mecigestone