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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H44O
Molecular Weight 396.6484
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ISOPYROCALCIFEROL

SMILES

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

InChI

InChIKey=DNVPQKQSNYMLRS-PAWLVPEASA-N
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3/b8-7+/t19-,20+,22-,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 8 / 8
E/Z Centers 1
Optical Activity UNSPECIFIED

Ergosterol (9alpha: 10beat isomer), lumisterol (9beta: 10alpha isomer), isopyrocalciferol (9beta: 10beta isomer) and pyrocalciferol (9alpha: 10alpha isomer) are all epimers of one another at C-9 and C-10. Isopyrocalciferol and pyrocalciferol are products of over-radiation of the provitamin D. These steroids don’t have biological activity since they are not steroids.

Approval Year

Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:52:55 GMT 2023
Edited
by admin
on Sat Dec 16 09:52:55 GMT 2023
Record UNII
4207F36618
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOPYROCALCIFEROL
MI  
Common Name English
9.BETA.-ERGOSTA-5,7,22-TRIEN-3.BETA.-OL
Systematic Name English
ERGOSTA-5,7,22-TRIEN-3-OL, (3.BETA.,9.BETA.,22E)-
Systematic Name English
ISOPYROVITAMIN D2
Common Name English
ISOPYROERGOCALCIFEROL
Common Name English
9.BETA.-ERGOSTEROL
Common Name English
ISOPYROCALCIFEROL [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m6535
Created by admin on Sat Dec 16 09:52:55 GMT 2023 , Edited by admin on Sat Dec 16 09:52:55 GMT 2023
PRIMARY Merck Index
FDA UNII
4207F36618
Created by admin on Sat Dec 16 09:52:55 GMT 2023 , Edited by admin on Sat Dec 16 09:52:55 GMT 2023
PRIMARY
CAS
474-70-4
Created by admin on Sat Dec 16 09:52:55 GMT 2023 , Edited by admin on Sat Dec 16 09:52:55 GMT 2023
PRIMARY
PUBCHEM
7094294
Created by admin on Sat Dec 16 09:52:55 GMT 2023 , Edited by admin on Sat Dec 16 09:52:55 GMT 2023
PRIMARY