NEOERGOSTEROL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H40O
Molecular Weight	380.6059
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]2([H])C3=C(CC[C@]12C)C4=C(C[C@@H](O)CC4)C=C3)[C@H](C)\C=C\[C@H](C)C(C)C

InChI

InChIKey=MNMJPUHGVUDRCV-DOOCTISASA-N

InChI=1S/C27H40O/c1-17(2)18(3)6-7-19(4)25-12-13-26-24-10-8-20-16-21(28)9-11-22(20)23(24)14-15-27(25,26)5/h6-8,10,17-19,21,25-26,28H,9,11-16H2,1-5H3/b7-6+/t18-,19+,21-,25+,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H40O
Molecular Weight	380.6059
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:42:50 GMT 2023` Edited by `admin` on `Sat Dec 16 09:42:50 GMT 2023`
Record UNII	ZPU0VBW70R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEOERGOSTEROL

Common Name

English

NEOERGOSTEROL [MI]

Common Name

English

19-NORERGOSTA-5,7,9,22-TETRAEN-3-OL, (3.BETA.,22E)-

Systematic Name

English

(3.BETA.,22E)-19-NORERGOSTA-5,7,9,22-TETRAEN-3-OL

Systematic Name

English

NEOERGOSTERIN

Common Name

English

Code System Code Type Description

PUBCHEM

10571850

Created by admin on Sat Dec 16 09:42:50 GMT 2023 , Edited by admin on Sat Dec 16 09:42:50 GMT 2023

PRIMARY

FDA UNII

ZPU0VBW70R

Created by admin on Sat Dec 16 09:42:50 GMT 2023 , Edited by admin on Sat Dec 16 09:42:50 GMT 2023

PRIMARY

CAS

516-98-3

Created by admin on Sat Dec 16 09:42:50 GMT 2023 , Edited by admin on Sat Dec 16 09:42:50 GMT 2023

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MERCK INDEX

m7806

Created by admin on Sat Dec 16 09:42:50 GMT 2023 , Edited by admin on Sat Dec 16 09:42:50 GMT 2023

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Merck Index