19-Norlanosta-1,5-diene-3,11,22,23-tetrone, 2-(β-D-glucopyranosyloxy)-16,25-dihydroxy-9-methyl-, cyclic 22,25:23,16-dihemiacetal, (9β,10α,16α,22S,23S)-

CAS Registry Number®

1345690-54-1

CAS Name

19-Norlanosta-1,5-diene-3,11,22,23-tetrone, 2-(β-D-glucopyranosyloxy)-16,25-dihydroxy-9-methyl-, cyclic 22,25:23,16-dihemiacetal, (9β,10α,16α,22S,23S)-

Molecular Formula

C36H52O12

Molecular Mass

676.79

Cite this Page

19-Norlanosta-1,5-diene-3,11,22,23-tetrone, 2-(β-D-glucopyranosyloxy)-16,25-dihydroxy-9-methyl-, cyclic 22,25:23,16-dihemiacetal, (9β,10α,16α,22S,23S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1345690-54-1 (retrieved 2024-11-25) (CAS RN: 1345690-54-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H52O12/c1-16-24-20(47-35(43)15-30(2,3)48-36(16,35)44)12-32(6)22-10-9-17-18(34(22,8)23(38)13-33(24,32)7)11-19(28(42)31(17,4)5)45-29-27(41)26(40)25(39)21(14-37)46-29/h9,11,16,18,20-22,24-27,29,37,39-41,43-44H,10,12-15H2,1-8H3/t16-,18+,20+,21+,22-,24-,25+,26-,27+,29+,32-,33+,34-,35-,36-/m0/s1

InChIKey

InChIKey=ACPPAFATSKFQFS-YTBYLDSSSA-N

SMILES

C[C@]12[C@@](C)([C@@]3([C@@](C1)(O[C@]4(O)[C@](O)([C@H]3C)OC(C)(C)C4)[H])[H])CC(=O)[C@]5(C)[C@]2(CC=C6[C@]5(C=C(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(=O)C6(C)C)[H])[H]

Canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2O)=CC3C(=CCC4C3(C(=O)CC5(C)C6C(OC7(O)CC(OC7(O)C6C)(C)C)CC45C)C)C1(C)C

Other Names for this Substance

  • 19-Norlanosta-1,5-diene-3,11,22,23-tetrone, 2-(β-D-glucopyranosyloxy)-16,25-dihydroxy-9-methyl-, cyclic 22,25:23,16-dihemiacetal, (9β,10α,16α,22S,23S)-

CAS INSIGHTSTM
Hourglass and a clock