ALLOPREGNANE-3.BETA.,20.ALPHA.-DIOL DIBENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H44O4
Molecular Weight	528.7215
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ALLOPREGNANE-3.BETA.,20.ALPHA.-DIOL DIBENZOATE

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)C5=CC=CC=C5)[C@H](C)OC(=O)C6=CC=CC=C6

InChI

InChIKey=VIHAFJNAKKNZSU-PRCUNZHDSA-N

InChI=1S/C35H44O4/c1-23(38-32(36)24-10-6-4-7-11-24)29-16-17-30-28-15-14-26-22-27(39-33(37)25-12-8-5-9-13-25)18-20-34(26,2)31(28)19-21-35(29,30)3/h4-13,23,26-31H,14-22H2,1-3H3/t23-,26-,27-,28-,29+,30-,31-,34-,35+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H44O4
Molecular Weight	528.7215
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:10:20 GMT 2023` Edited by `admin` on `Sat Dec 16 08:10:20 GMT 2023`
Record UNII	J3TEJ405BW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALLOPREGNANE-3.BETA.,20.ALPHA.-DIOL DIBENZOATE

Common Name

English

5.ALPHA.-PREGNANE-3.BETA.,20.ALPHA.-DIOL, DIBENZOATE

Systematic Name

English

ALLOPREGNANE-3.BETA.,20.ALPHA.-DIOL DIBENZOATE [MI]

Common Name

English

Code System Code Type Description

FDA UNII

J3TEJ405BW

Created by admin on Sat Dec 16 08:10:20 GMT 2023 , Edited by admin on Sat Dec 16 08:10:20 GMT 2023

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CAS

14895-24-0

Created by admin on Sat Dec 16 08:10:20 GMT 2023 , Edited by admin on Sat Dec 16 08:10:20 GMT 2023

PRIMARY

PUBCHEM

72710676

Created by admin on Sat Dec 16 08:10:20 GMT 2023 , Edited by admin on Sat Dec 16 08:10:20 GMT 2023

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MERCK INDEX

m1531

Created by admin on Sat Dec 16 08:10:20 GMT 2023 , Edited by admin on Sat Dec 16 08:10:20 GMT 2023

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Merck Index