Cucurbitacin I

CAS Registry Number®

2222-07-3
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CAS Name

Cucurbitacin I

Molecular Formula

C30H42O7

Molecular Mass

514.65

Cite this Page

Cucurbitacin I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2222-07-3 (retrieved 2024-05-16) (CAS RN: 2222-07-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1

InChIKey

InChIKey=NISPVUDLMHQFRQ-MKIKIEMVSA-N

SMILES

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

Canonical SMILES

O=C(C=CC(O)(C)C)C(O)(C)C1C(O)CC2(C)C3CC=C4C(C=C(O)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, 2,16,20,25-tetrahydroxy-9-methyl-, (9β,10α,16α,23E)-
  • 19-Nor-9β,10α-lanosta-1,5,23-triene-3,11,22-trione, 2,16α,20,25-tetrahydroxy-9-methyl-
  • Elatericin B
  • (9β,10α,16α,23E)-2,16,20,25-Tetrahydroxy-9-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione
  • Cucurbitacin I

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Deleted or Replaced CAS Registry Numbers

204376-97-6

CAS INSIGHTSTM
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