CALCIPOTRIOL ,112828-00-9 _Chemical Cloud Database

CALCIPOTRIOL

Basic Information
Product Name：	CALCIPOTRIOL
CAS：	112828-00-9 ;112965-21-6
English Synonyms：	(1S,3S,5Z)-5-[(2E)-2-[(1R,3AR,7AR)-1-[(E,2S)-5-CYCLOPROPYL-5-HYDROXY-PENT-3-EN-2-YL]-7A-METHYL-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXANE-1,3-DIOL ; CALCIPOTRIOL ANHYDRE ; 24-CYCLOPROPYL-(1ALPHA,3BETA,5Z,7E,22E,24S)-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL ; CALCIPOTRIOL ANHYDRIDE ; CALCIPOTRIOL ; MC 903 ; CALCIPOTRIENE ; CALCIPOTRIENE，EP5.3 ; (5Z,7E,22E,24S)-24-CYCLOPROPYL-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1ALPHA,3BETA,24-TRIOL ; CALCIPTRIOL
MDL Number.：	MFCD00866630
H bond acceptor：	3
H bond donor：	3
Smile：	C[C@H](/C=C/[C@H](C1CC1)O)[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
InChi：	InChI=1S/C27H40O3/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/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3/b13-6+,19-7+,21-10-/t17-,22-,23-,24+,25-,26+,27-/m1/s1
InChiKey：	InChIKey=LWQQLNNNIPYSNX-UROSTWAQSA-N
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