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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

C[C@H](\C=C\[C@@H](O)C1CC1)[C@H]2CC[C@H]3[C@@]4(CCC[C@]23C)[C@H]5CC6=C(C[C@@H](O)C[C@@H]6O)[C@H]45

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 Mon Mar 31 20:57:01 GMT 2025
Edited
by admin
on Mon Mar 31 20:57:01 GMT 2025
Record UNII
BKJ05UZO99
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUPRASTEROL OF CALCIPOTRIOL
Common Name English
CALCIPOTRIENE IMPURITY I
Preferred Name English
CALCIPOTRIOL IMPURITY I [EP IMPURITY]
Common Name English
CALCIPOTRIOL MONOHYDRATE IMPURITY I [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
BKJ05UZO99
Created by admin on Mon Mar 31 20:57:01 GMT 2025 , Edited by admin on Mon Mar 31 20:57:01 GMT 2025
PRIMARY
PUBCHEM
76969872
Created by admin on Mon Mar 31 20:57:01 GMT 2025 , Edited by admin on Mon Mar 31 20:57:01 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY