PHOTOPYROCALCIFEROL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H44O
Molecular Weight	396.6484
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]14C=C[C@@]45C[C@@H](O)CC[C@@]25C)[C@H](C)\C=C\[C@H](C)C(C)C

InChI

InChIKey=IUBSFYBGGQVPPC-UBTFECHKSA-N

InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26-,27-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H44O
Molecular Weight	396.6484
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:50:11 GMT 2023` Edited by `admin` on `Sat Dec 16 12:50:11 GMT 2023`
Record UNII	8MA0JW02EZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PHOTOPYROCALCIFEROL

Common Name

English

5,8-CYCLOERGOSTA-6,22-DIEN-3-OL, (3.BETA.,5.BETA.,8.BETA.,10.ALPHA.,22E)-

Systematic Name

English

Code System Code Type Description

CAS

41411-05-6

Created by admin on Sat Dec 16 12:50:11 GMT 2023 , Edited by admin on Sat Dec 16 12:50:11 GMT 2023

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PUBCHEM

122706741

Created by admin on Sat Dec 16 12:50:11 GMT 2023 , Edited by admin on Sat Dec 16 12:50:11 GMT 2023

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FDA UNII

8MA0JW02EZ

Created by admin on Sat Dec 16 12:50:11 GMT 2023 , Edited by admin on Sat Dec 16 12:50:11 GMT 2023

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