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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H44O
Molecular Weight 396.6484
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of (5E,7E,22E)-9,10-SECOERGOSTA-5,7,10(19),22-TETRAEN-3.BETA.-OL

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3/C[C@@H](O)CCC3=C)[C@H](C)\C=C\[C@H](C)C(C)C

InChI

InChIKey=MECHNRXZTMCUDQ-VLOQVYPSSA-N
InChI=1S/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13+/t20-,22+,25-,26+,27-,28+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(5E,7E,22E)-9,10-SECOERGOSTA-5,7,10(19),22-TETRAEN-3.BETA.-OL
Systematic Name English
5,6-TRANS-ERGOCALCIFERO
Systematic Name English
9,10-SECOERGOSTA-5,7,10(19),22-TETRAEN-3-OL, (3.BETA.,5E,7E,22E)-
Systematic Name English
ERGOCALCIFEROL IMPURITY A [EP IMPURITY]
Common Name English
TRANS-VITAMIN D2
Common Name English
5,6-TRANS-VITAMIN D2
Systematic Name English
Code System Code Type Description
CAS
51744-66-2
Created by admin on Sat Dec 16 14:11:38 GMT 2023 , Edited by admin on Sat Dec 16 14:11:38 GMT 2023
PRIMARY
PUBCHEM
6536972
Created by admin on Sat Dec 16 14:11:38 GMT 2023 , Edited by admin on Sat Dec 16 14:11:38 GMT 2023
PRIMARY
FDA UNII
LYM8W766XP
Created by admin on Sat Dec 16 14:11:38 GMT 2023 , Edited by admin on Sat Dec 16 14:11:38 GMT 2023
PRIMARY