7-DEHYDROCHOLESTEROL BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H48O2
Molecular Weight	488.7437
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-DEHYDROCHOLESTEROL BENZOATE

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)C5=CC=CC=C5)[C@H](C)CCCC(C)C

InChI

InChIKey=IHOQNBAZWVTKFK-BVBBTSNESA-N

InChI=1S/C34H48O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-15,23-24,27,29-31H,9-11,16-22H2,1-5H3/t24-,27+,29-,30+,31+,33+,34-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H48O2
Molecular Weight	488.7437
Charge	0
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 05:49:21 GMT 2023` Edited by `admin` on `Sat Dec 16 05:49:21 GMT 2023`
Record UNII	BHY886542N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-DEHYDROCHOLESTEROL BENZOATE

Common Name

English

NSC-18184

Code

English

CHOLESTA-5,7-DIEN-3-OL, BENZOATE, (3.BETA.)-

Systematic Name

English

3.BETA.-BENZOYLOXYCHOLESTA-5,7-DIENE

Systematic Name

English

.DELTA.5,7-CHOLESTERYL BENZOATE

Common Name

English

5,7-CHOLESTANDIEN-3BETA-OL, BENZOATE

Systematic Name

English

Code System Code Type Description

CAS

1182-06-5