Cucurbitacin S

CAS Registry Number®

60137-06-6
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CAS Name

Cucurbitacin S

Molecular Formula

C30H42O6

Molecular Mass

498.65

Cite this Page

Cucurbitacin S.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=60137-06-6 (retrieved 2024-05-10) (CAS RN: 60137-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H42O6/c1-15-18(31)12-23(27(4,5)35)36-20-13-28(6)21-10-9-16-17(11-19(32)25(34)26(16,2)3)30(21,8)22(33)14-29(28,7)24(15)20/h9,11,15,17,20-21,23-24,32,35H,10,12-14H2,1-8H3/t15-,17-,20-,21+,23+,24+,28+,29-,30+/m1/s1

InChIKey

InChIKey=MBYLRWSUZLFUTO-PQNVQGKDSA-N

SMILES

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

Canonical SMILES

O=C1C(O)=CC2C(=CCC3C2(C(=O)CC4(C)C5C(C(=O)CC(OC5CC34C)C(O)(C)C)C)C)C1(C)C

Other Names for this Substance

  • 19-Norlanosta-1,5-diene-3,11,22-trione, 16,24-epoxy-2,25-dihydroxy-9-methyl-, (9β,10α,16α,24S)-
  • (9β,10α,16α,24S)-16,24-Epoxy-2,25-dihydroxy-9-methyl-19-norlanosta-1,5-diene-3,11,22-trione
  • Cucurbitacin S

CAS INSIGHTSTM
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