Primary record
UNII-G70BS4HF9Z
- CAS
- 126860-83-1
- PubChem CID
- 9547342
- SMILES
- C[C@H](/C=C/C(=O)C1CC1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C
- Molecular Formula
- C27H38O3
- Molecular Weight
- 410.598
- Exact Mass
- 410.2821
- InChI
- InChI=1S/C27H38O3/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2/h6-7,10,13,17,20,22-24,26,28,30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,26+,27-/m1/s1
- InChIKey
- KKDBQSPKXAUHPH-NRCQPIEOSA-N
- LogP
- 5.2988
- TPSA
- 57.53
Names and synonyms
- UNII-G70BS4HF9Z
- MC 1046
- G70BS4HF9Z
- Calcipotriol, anhydrous impurity A [EP]
- MC-1046
- 126860-83-1
- Calcipotriol EP Impurity A
- SCHEMBL19986503
- LMST03020092
- C27H38O3
- 3804AH
- ZINC38791621
- CID9547342
- AC-35467
- Calcipotriol, anhydrous specified impurity A [EP]
- Calcipotriol,anhydrous specified impurity A
- J412.247J
- CALCIPOTRIOL IMPURITY A [EP IMPURITY]
- CALCIPOTRIENE IMPURITY A [USP IMPURITY]
- W-5187
- A938506
- (E,4R)-4-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-cyclopropylpent-2-en-1-one
- Q27278864
- CALCIPOTRIOL MONOHYDRATE IMPURITY A [EP IMPURITY]
- (5Z,7E,22E)-24-Cyclopropyl-1alpha,3beta-dihydroxy-9,10-secochola-5,7,10(19),22-tetraen-24-one
- 9,10-Secochola-5,7,10(19),22-tetraen-24-one, 24-cyclopropyl-1,3-dihydroxy-, (1alpha,3beta,5Z,7E,22E)-
- (22E)-1alpha-hydroxy-24-oxo-26,27-cyclo-22,23-didehydrovitamin D3 / (22E)-1alpha-hydroxy-24-oxo-26,27-cyclo-22,23-didehydrocholecalciferol
- (5Z,7E,22E)-(1S,3R)-1,3-dihydroxy-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraen-24-one
- (1?,3?,5Z,7E,22E)-24-Cyclopropyl-1,3-dihydroxy-9,10-Secochola-5,7,10(19),22-tetraen-24-one (90%)
- (1|A,3|A,5Z,7E,22E)-24-Cyclopropyl-1,3-dihydroxy-9,10-Secochola-5,7,10(19),22-tetraen-24-one (90%)