(9β,10α,16α,24S)-2-(β-D-Glucopyranosyloxy)-16,20,25-trihydroxy-24-methoxy-9-methyl-19-norlanosta-1,5-diene-3,11,22-trione
CAS Registry Number®
CAS Name
(9β,10α,16α,24S)-2-(β-D-Glucopyranosyloxy)-16,20,25-trihydroxy-24-methoxy-9-methyl-19-norlanosta-1,5-diene-3,11,22-trioneMolecular Formula
C37H56O13Molecular Mass
708.83Cite this Page
(9β,10α,16α,24S)-2-(β-D-Glucopyranosyloxy)-16,20,25-trihydroxy-24-methoxy-9-methyl-19-norlanosta-1,5-diene-3,11,22-trione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1345690-58-5 (retrieved ) (CAS RN: 1345690-58-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C37H56O13/c1-32(2)17-10-11-22-34(5)14-19(39)29(37(8,47)23(40)13-25(48-9)33(3,4)46)35(34,6)15-24(41)36(22,7)18(17)12-20(30(32)45)49-31-28(44)27(43)26(42)21(16-38)50-31/h10,12,18-19,21-22,25-29,31,38-39,42-44,46-47H,11,13-16H2,1-9H3/t18-,19-,21-,22+,25+,26-,27+,28-,29+,31-,34+,35-,36+,37+/m1/s1
InChIKey
InChIKey=VFYMEDSYUASGPF-WLPFVFARSA-N
SMILES
C[C@]12[C@]3([C@](C)([C@]4(C(=CC3)C(C)(C)C(=O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C4)[H])C(=O)C[C@]1(C)[C@@]([C@@](C(C[C@@H](C(C)(C)O)OC)=O)(C)O)([C@H](O)C2)[H])[H]
Canonical SMILES
O=C1C(OC2OC(CO)C(O)C(O)C2O)=CC3C(=CCC4C3(C(=O)CC5(C)C(C(O)CC45C)C(O)(C(=O)CC(OC)C(O)(C)C)C)C)C1(C)C
Other Names for this Substance
- 19-Norlanosta-1,5-diene-3,11,22-trione, 2-(β-D-glucopyranosyloxy)-16,20,25-trihydroxy-24-methoxy-9-methyl-, (9β,10α,16α,24S)-
- (9β,10α,16α,24S)-2-(β-D-Glucopyranosyloxy)-16,20,25-trihydroxy-24-methoxy-9-methyl-19-norlanosta-1,5-diene-3,11,22-trione