Isocucurbitacin B

CAS Registry Number®

17278-28-3
No image available.

CAS Name

Isocucurbitacin B

Molecular Formula

C32H46O8

Molecular Mass

558.70

Cite this Page

Isocucurbitacin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17278-28-3 (retrieved 2024-08-12) (CAS RN: 17278-28-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    219 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19,21-22,25-26,35,38-39H,11,14-16H2,1-9H3/b13-12+/t19-,21-,22+,25+,26-,29+,30-,31+,32+/m1/s1

InChIKey

InChIKey=WTBZNVRBNJWSPF-DZEACCAPSA-N

SMILES

C[C@]12[C@@](C)([C@@]([C@@](C(/C=C/C(OC(C)=O)(C)C)=O)(C)O)([C@H](O)C1)[H])CC(=O)[C@]3(C)[C@]2(CC=C4[C@]3(CC(=O)[C@@H](O)C4(C)C)[H])[H]

Canonical SMILES

O=C(OC(C=CC(=O)C(O)(C)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(O)C4(C)C)C3(C(=O)CC12C)C)(C)C)C

Other Names for this Substance

  • 19-Norlanosta-5,23-diene-2,11,22-trione, 25-(acetyloxy)-3,16,20-trihydroxy-9-methyl-, (3α,9β,10α,16α,23E)-
  • (3α,9β,10α,16α,23E)-25-(Acetyloxy)-3,16,20-trihydroxy-9-methyl-19-norlanosta-5,23-diene-2,11,22-trione
  • Isocucurbitacin B
  • NSC 106400

Deleted or Replaced CAS Registry Numbers

13201-13-3