19-Norlanosta-1,5-diene-3,11,22,23-tetrone, 2-(β-D-glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-, cyclic 22,25:23,16-dihemiacetal, (9β,10α,16α,22S,23S)-

CAS Registry Number®

1345690-55-2
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CAS Name

19-Norlanosta-1,5-diene-3,11,22,23-tetrone, 2-(β-D-glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-, cyclic 22,25:23,16-dihemiacetal, (9β,10α,16α,22S,23S)-

Molecular Formula

C36H52O13

Molecular Mass

692.79

Cite this Page

19-Norlanosta-1,5-diene-3,11,22,23-tetrone, 2-(β-D-glucopyranosyloxy)-16,20,25-trihydroxy-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=1345690-55-2 (retrieved 2024-09-22) (CAS RN: 1345690-55-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H52O13/c1-29(2)15-35(44)36(45,49-29)34(8,43)26-19(48-35)12-31(5)21-10-9-16-17(33(21,7)22(38)13-32(26,31)6)11-18(27(42)30(16,3)4)46-28-25(41)24(40)23(39)20(14-37)47-28/h9,11,17,19-21,23-26,28,37,39-41,43-45H,10,12-15H2,1-8H3/t17-,19-,20-,21+,23-,24+,25-,26+,28-,31+,32-,33+,34-,35+,36+/m1/s1

InChIKey

InChIKey=ANFGZMJFIDODOI-JOWNWPMHSA-N

SMILES

C[C@@]12[C@@]3([C@@](C[C@@]1(C)[C@]4([C@@](C)(C(=O)C2)[C@]5(C(=CC4)C(C)(C)C(=O)C(O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)=C5)[H])[H])(O[C@]7(O)[C@](O)([C@]3(C)O)OC(C)(C)C7)[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)C6(O)C)(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)-16,20,25-trihydroxy-9-methyl-, cyclic 22,25:23,16-dihemiacetal, (9β,10α,16α,22S,23S)-