ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE 3-ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H36O4
Molecular Weight	376.5295
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE 3-ACETATE

Structure Search

SMILES

[H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CC[C@@]4([H])C[C@H](CC[C@]34C)OC(C)=O

InChI

InChIKey=TVQDBRRFOFGWDS-LQHFQCQCSA-N

InChI=1S/C23H36O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h16-20,26H,5-13H2,1-4H3/t16-,17-,18+,19-,20-,21-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H36O4
Molecular Weight	376.5295
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 09:46:30 GMT 2023` Edited by `admin` on `Sat Dec 16 09:46:30 GMT 2023`
Record UNII	X12IGG0Y3F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE 3-ACETATE

Common Name

English

NSC-15480

Code

English

PREGNAN-20-ONE, 3-(ACETYLOXY)-17-HYDROXY-, (3.BETA.,5.ALPHA.)-

Systematic Name

English

ALLOPREGNANE-3.BETA.,17.ALPHA.-DIOL-20-ONE 3-ACETATE [MI]

Common Name

English

NSC-8106

Code

English

Code System Code Type Description

PUBCHEM

222287