(3B,7A)-CHOLEST-5-ENE-3,7-DIOL 3-BENZOATE

CAS No.
40824-59-7
CCD No.
CCD08029950
Formula
C34 H50 O3
MolWeight
506.766

Basic Information

Product Name: (3B,7A)-CHOLEST-5-ENE-3,7-DIOL 3-BENZOATE
CAS: 40824-59-7
English Synonyms: (3B,7A)-CHOLEST-5-ENE-3,7-DIOL 3-BENZOATE ; 7-ALPHA-HYDROXYCHOLEST-5-EN-3-BETA-YL BENZOATE ; 7ALPHA-HYDROXYCHOLESTEROL 3-BENZOATE
MDL Number.: MFCD00201420
H bond acceptor: 3
H bond donor: 1
Smile: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)OC(=O)c5ccccc5)C)O)C
InChi: InChI=1S/C34H50O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,21-23,26-31,35H,9-11,14-20H2,1-5H3/t23-,26+,27-,28+,29+,30-,31+,33+,34-/m1/s1
InChiKey: InChIKey=YAQOZGBTTMUPRW-KHCFEYDLSA-N

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