Pentarane A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H36O2
Molecular Weight	368.5521
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1(CCCC2)C(C)=O

InChI

InChIKey=QRVBGQLTPQQFJY-IEHCJHDVSA-N

InChI=1S/C25H36O2/c1-16(26)25-11-5-4-6-18(25)15-22-20-8-7-17-14-19(27)9-12-23(17,2)21(20)10-13-24(22,25)3/h14,18,20-22H,4-13,15H2,1-3H3/t18-,20-,21+,22+,23+,24+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H36O2
Molecular Weight	368.5521
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:36:13 GMT 2023` Edited by `admin` on `Sat Dec 16 17:36:13 GMT 2023`
Record UNII	UMG87A58PN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pentarane A

Common Name

English

16α,17α-Cyclohexanopregn-4-ene-3,20-dione

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

UMG87A58PN