2-O-β-D-Glucopyranosylcucurbitacin I

CAS Registry Number®

29803-94-9

CAS Name

2-O-β-D-Glucopyranosylcucurbitacin I

Molecular Formula

C36H52O12

Molecular Mass

676.79

Cite this Page

2-O-β-D-Glucopyranosylcucurbitacin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29803-94-9 (retrieved 2024-10-21) (CAS RN: 29803-94-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H52O12/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/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3/b12-11+/t18-,19-,21-,22+,25-,26+,27-,28+,30-,33+,34-,35+,36+/m1/s1

InChIKey

InChIKey=LIIOJBIJVPGVGO-JZZAZZIQSA-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/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(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C(=O)CC12C)C

Other Names for this Substance

  • 19-Norlanosta-1,5,23-triene-3,11,22-trione, 2-(β-D-glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-, (9β,10α,16α,23E)-
  • 19-Nor-9β,10α-lanosta-1,5,23-triene-3,11,22-trione, 2-(D-glucopyranosyloxy)-16α,20,25-trihydroxy-9-methyl-
  • Glucopyranoside, cucurbitacin I-2, D-
  • (9β,10α,16α,23E)-2-(β-D-Glucopyranosyloxy)-16,20,25-trihydroxy-9-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione
  • 2-O-β-D-Glucopyranosylcucurbitacin I

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Deleted or Replaced CAS Registry Numbers

122738-85-6, 16307-33-8, 26260-47-9

CAS INSIGHTSTM
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