19-Norcholesta-1,3,5(10)-trien-11-one, 25-(acetyloxy)-2-(β-D-glucopyranosyloxy)-3,16,20,22-tetrahydroxy-4,9,14-trimethyl-, (9β,16α)-

CAS Registry Number®

178062-92-5

CAS Name

19-Norcholesta-1,3,5(10)-trien-11-one, 25-(acetyloxy)-2-(β-D-glucopyranosyloxy)-3,16,20,22-tetrahydroxy-4,9,14-trimethyl-, (9β,16α)-

Molecular Formula

C37H56O13

Molecular Mass

708.83

Cite this Page

19-Norcholesta-1,3,5(10)-trien-11-one, 25-(acetyloxy)-2-(β-D-glucopyranosyloxy)-3,16,20,22-tetrahydroxy-4,9,14-trimethyl-, (9β,16α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=178062-92-5 (retrieved 2024-11-25) (CAS RN: 178062-92-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H56O13/c1-17-19-9-10-24-34(5)14-21(40)31(37(8,47)25(41)11-12-33(3,4)50-18(2)39)35(34,6)15-26(42)36(24,7)20(19)13-22(27(17)43)48-32-30(46)29(45)28(44)23(16-38)49-32/h13,21,23-25,28-32,38,40-41,43-47H,9-12,14-16H2,1-8H3/t21-,23-,24+,25?,28-,29+,30-,31+,32-,34+,35-,36+,37+/m1/s1

InChIKey

InChIKey=LGQOTCFFEQXKSO-ALIXTATOSA-N

SMILES

C[C@]12[C@]3([C@](C)(C=4C(CC3)=C(C)C(O)=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4)C(=O)C[C@]1(C)[C@@]([C@@](C(CCC(OC(C)=O)(C)C)O)(C)O)([C@H](O)C2)[H])[H]

Canonical SMILES

O=C(OC(C)(C)CCC(O)C(O)(C)C1C(O)CC2(C)C3CCC4=C(C(O)=C(OC5OC(CO)C(O)C(O)C5O)C=C4C3(C(=O)CC12C)C)C)C

Other Names for this Substance

  • 19-Norcholesta-1,3,5(10)-trien-11-one, 25-(acetyloxy)-2-(β-D-glucopyranosyloxy)-3,16,20,22-tetrahydroxy-4,9,14-trimethyl-, (9β,16α)-

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