ATOCALCITOL ,302904-82-1 _Chemical Cloud Database

ATOCALCITOL

Basic Information
Product Name：	ATOCALCITOL
CAS：	302904-82-1
English Synonyms：	(1S,3R,5Z,7E,20R)-20-(3-(2-HYDROXYPROPAN-2-YL)BENZYLOXYMETHYL)-9,10-SECOPREGNA-5,7,10(19)-TRIENE-1ALPHA,3BETA-DIOL ; ATOCALCITOL
MDL Number.：	MFCD09838285
H bond acceptor：	4
H bond donor：	3
Smile：	C[C@@H](COCc1cccc(c1)C(C)(C)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/C32H46O4/c1-21(19-36-20-23-8-6-10-26(16-23)31(3,4)35)28-13-14-29-24(9-7-15-32(28,29)5)11-12-25-17-27(33)18-30(34)22(25)2/h6,8,10-12,16,21,27-30,33-35H,2,7,9,13-15,17-20H2,1,3-5H3/b24-11+,25-12-/t21-,27+,28+,29-,30-,32+/m0/s1
InChiKey：	InChIKey=CFIFSLBCJAXYTC-FJLAUVHZSA-N

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