1-HYDROXYBACCATIN I

CAS No.
30244-37-2
CCD No.
CCD00607178
Formula
C32 H44 O14
MolWeight
652.686

Basic Information

Product Name: 1-HYDROXYBACCATIN I
CAS: 30244-37-2
English Synonyms: 1-HYDROXYBACCATIN I
MDL Number.: MFCD07779404
H bond acceptor: 14
H bond donor: 1
Smile: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H]([C@]4([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C
InChi: InChI=1S/C32H44O14/c1-14-21(41-15(2)33)12-32(39)28(46-20(7)38)26-30(10,22(42-16(3)34)11-23(43-17(4)35)31(26)13-40-31)27(45-19(6)37)25(44-18(5)36)24(14)29(32,8)9/h21-23,25-28,39H,11-13H2,1-10H3/t21-,22-,23-,25+,26-,27-,28-,30+,31-,32+/m0/s1
InChiKey: InChIKey=LUTPIRPNUNHFEV-ZKBWLWPRSA-N

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