GHS
GHS Classification Search
19-Norcholesta-1,3,5(10)-trien-11-one, 2-[(6-O-I(2)-D-glucopyranosyl-I(2)-D-glucopyranosyl)oxy]-3,16,20,22-tetrahydroxy-25-hydroxy-4,9,14-trimethyl-, (9I(2),16I+/-)-
CAS Number: 178062-90-3
IUPAC name: (8S,9R,13R,14S,16R,17R)-3,16-dihydroxy-4,9,13,14-tetramethyl-17-[(2R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-7,8,12,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-11-one
Molecular formula: C41H64O17
Molecular weight: 828.9
InChI: InChI=1S/C41H64O17/c1-17-18-8-9-24-38(4)13-20(43)34(41(7,54)25(44)10-11-37(2,3)53)39(38,5)14-26(45)40(24,6)19(18)12-21(27(17)46)56-36-33(52)31(50)29(48)23(58-36)16-55-35-32(51)30(49)28(47)22(15-42)57-35/h12,20,22-25,28-36,42-44,46-54H,8-11,13-16H2,1-7H3/t20-,22-,23-,24+,25?,28-,29-,30+,31+,32-,33-,34+,35-,36-,38+,39-,40+,41+/m1/s1
InChIKey: QWGUIPMTPWNYMF-ALLFPNTBSA-N
SMILES: CC1=C2CC[C@H]3[C@@]4(C[C@H]([C@@H]([C@]4(CC(=O)[C@]3(C2=CC(=C1O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)C)C)[C@](C)(C(CCC(C)(C)O)O)O)O)C
EINECS: -
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