(2β,9β,10α,16α,23E)-2-(β-D-Glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione
CAS Registry Number®
CAS Name
(2β,9β,10α,16α,23E)-2-(β-D-Glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trioneMolecular Formula
C36H54O12Molecular Mass
678.81Cite this Page
(2β,9β,10α,16α,23E)-2-(β-D-Glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-19-norlanosta-5,23-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=65597-45-7 (retrieved ) (CAS RN: 65597-45-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C36H54O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-12,18-22,25-28,30,37-38,41-43,45-46H,10,13-16H2,1-8H3/b12-11+/t18-,19-,20+,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1
InChIKey
InChIKey=GOWXUGYRPHOTEQ-QYNXQQORSA-N
SMILES
C[C@]12[C@]3([C@](C)([C@]4(C(=CC3)C(C)(C)C(=O)[C@@H](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/C(C)(C)O)=O)(C)O)([C@H](O)C2)[H])[H]
Canonical SMILES
O=C(C=CC(O)(C)C)C(O)(C)C1C(O)CC2(C)C3CC=C4C(CC(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C(=O)CC12C)C
Other Names for this Substance
- 19-Norlanosta-5,23-diene-3,11,22-trione, 2-(β-D-glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-, (2β,9β,10α,16α,23E)-
- (2β,9β,10α,16α,23E)-2-(β-D-Glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-19-norlanosta-5,23-diene-3,11,22-trione
- 2-O-β-D-Glucopyranosylcucurbitacin D
- Arvenin III