Cucurbitacin C

CAS Registry Number®

5988-76-1

CAS Name

Cucurbitacin C

Molecular Formula

C32H48O8

Molecular Mass

560.72

Cite this Page

Cucurbitacin C.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5988-76-1 (retrieved 2024-11-25) (CAS RN: 5988-76-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    207-207.5 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23-,26+,29+,30-,31+,32+/m1/s1

InChIKey

InChIKey=DGIGXLXLGBAJJN-XOMTXOPZSA-N

SMILES

C(O)[C@]12[C@]([C@@]3(C)[C@](C)(CC1=O)[C@@]([C@@](C(/C=C/C(OC(C)=O)(C)C)=O)(C)O)([C@H](O)C3)[H])(CC=C4[C@]2(CC[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(CCC(O)C4(C)C)C3(C(=O)CC12C)CO)(C)C)C

Other Names for this Substance

  • 19-Norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3α,9β,10α,16α,23E)-
  • 19-Nor-9β,10α-lanosta-5,23-diene-11,22-dione, 3α,16α,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate
  • (3α,9β,10α,16α,23E)-25-(Acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-19-norlanosta-5,23-diene-11,22-dione
  • Cucurbitacin C
  • NSC 94744

Deleted or Replaced CAS Registry Numbers

20137-42-2, 22366-01-4, 26419-36-3, 47815-08-7

CAS INSIGHTSTM
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