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Details

Stereochemistry ABSOLUTE
Molecular Formula C54H78O5
Molecular Weight 807.1941
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 6
Charge 0

SHOW SMILES / InChI
Structure of 24,24'-OXYBIS((5Z,7E,22E,24S)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1.ALPHA.,3.BETA.-DIOL)

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@H](C)\C=C\[C@@H](O[C@H](\C=C\[C@@H](C)[C@@]4([H])CC[C@@]5([H])\C(CCC[C@]45C)=C\C=C6\C[C@@H](O)C[C@H](O)C6=C)C7CC7)C8CC8

InChI

InChIKey=SWFKKEWQRMPWFV-GXAPPJGQSA-N
InChI=1S/C54H78O5/c1-33(45-21-23-47-37(9-7-27-53(45,47)5)13-19-41-29-43(55)31-49(57)35(41)3)11-25-51(39-15-16-39)59-52(40-17-18-40)26-12-34(2)46-22-24-48-38(10-8-28-54(46,48)6)14-20-42-30-44(56)32-50(58)36(42)4/h11-14,19-20,25-26,33-34,39-40,43-52,55-58H,3-4,7-10,15-18,21-24,27-32H2,1-2,5-6H3/b25-11+,26-12+,37-13+,38-14+,41-19-,42-20-/t33-,34-,43-,44-,45-,46-,47+,48+,49+,50+,51-,52-,53-,54-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
24,24'-OXYBIS((5Z,7E,22E,24S)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1.ALPHA.,3.BETA.-DIOL)
Common Name English
CALCIPOTRIENE IMPURITY G
Common Name English
CALCIPOTRIOL IMPURITY G [EP IMPURITY]
Common Name English
CALCIPOTRIENE IMPURITY G [USP IMPURITY]
Common Name English
CALCIPOTRIOL MONOHYDRATE IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
PUBCHEM
76965852
Created by admin on Sat Dec 16 01:39:55 GMT 2023 , Edited by admin on Sat Dec 16 01:39:55 GMT 2023
PRIMARY
FDA UNII
VLP3070D1T
Created by admin on Sat Dec 16 01:39:55 GMT 2023 , Edited by admin on Sat Dec 16 01:39:55 GMT 2023
PRIMARY