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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H40O3
Molecular Weight 412.6047
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SUPRASTEROL OF CALCIPOTRIOL

SMILES

[H][C@]12CC3=C(C[C@@H](O)C[C@@H]3O)[C@]1([H])[C@]24CCC[C@]5(C)[C@]([H])(CC[C@@]45[H])[C@H](C)\C=C\[C@@H](O)C6CC6

InChI

InChIKey=LWJGKCLRCKYXGO-KPVCKDFMSA-N
InChI=1S/C27H40O3/c1-15(4-8-22(29)16-5-6-16)20-7-9-24-26(20,2)10-3-11-27(24)21-14-18-19(25(21)27)12-17(28)13-23(18)30/h4,8,15-17,20-25,28-30H,3,5-7,9-14H2,1-2H3/b8-4+/t15-,17-,20-,21-,22-,23+,24-,25+,26-,27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H40O3
Molecular Weight 412.6047
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 01:39:57 UTC 2023
Edited
by admin
on Sat Dec 16 01:39:57 UTC 2023
Record UNII
BKJ05UZO99
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUPRASTEROL OF CALCIPOTRIOL
Common Name English
CALCIPOTRIOL IMPURITY I [EP IMPURITY]
Common Name English
CALCIPOTRIOL MONOHYDRATE IMPURITY I [EP IMPURITY]
Common Name English
CALCIPOTRIENE IMPURITY I
Common Name English
Code System Code Type Description
FDA UNII
BKJ05UZO99
Created by admin on Sat Dec 16 01:39:57 UTC 2023 , Edited by admin on Sat Dec 16 01:39:57 UTC 2023
PRIMARY
PUBCHEM
76969872
Created by admin on Sat Dec 16 01:39:57 UTC 2023 , Edited by admin on Sat Dec 16 01:39:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY