Cucurbitacin A

CAS Registry Number®

6040-19-3
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CAS Name

Cucurbitacin A

Molecular Formula

C32H46O9

Molecular Mass

574.70

Cite this Page

Cucurbitacin A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6040-19-3 (retrieved 2024-05-16) (CAS RN: 6040-19-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    207-208 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H3/b12-11+/t19-,20+,21-,22+,25+,29+,30-,31+,32+/m1/s1

InChIKey

InChIKey=IHTCCHVMPGDDSL-IVNGUWCNSA-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(C[C@H](O)C(=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)CO)(C)C)C

Other Names for this Substance

  • 19-Norlanosta-5,23-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-, (2β,9β,10α,16α,23E)-
  • 19-Nor-9β,10α-lanosta-5,23-diene-3,11,22-trione, 2β,16α,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate, (E)-
  • 19-Norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate
  • (2β,9β,10α,16α,23E)-25-(Acetyloxy)-2,16,20-trihydroxy-9-(hydroxymethyl)-19-norlanosta-5,23-diene-3,11,22-trione
  • Cucurbitacin A

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