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Substance Name: Cucurbitacin IIb
RN: 50298-90-3
InChIKey: VVBWBGOEAVGFTN-BLGDFNBKSA-N

Notes

  • Has anti-inflammatory activity; isolated from Hemsleya amabilis.
  • Has antineoplastic and antinociceptive activities; isolated from Hemsleya amabilis and Elaeocarpus dolichostylus.

Molecular Formula

  • C30-H48-O7

Molecular Weight

  • 520.702
 
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Names and Synonyms

Results Name

  • Cucurbitacin IIb

Synonyms

  • CCRIS 7544
  • Cucurbitacin IIb

Systematic Names

  • 19-Norlanost-5-ene-11,22-dione, 2,3,16,20,25-pentahydroxy-9-methyl-, (2beta,3alpha,9beta,10alpha,16alpha)-
  • 23,24-Dihydrocucurbitacin F

Registry Numbers

CAS Registry Number

  • 50298-90-3

System Generated Number

  • 0050298903

Structure Descriptors

InChI

1S/C30H48O7/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/h9,17-20,23-24,31-32,35-37H,10-15H2,1-8H3/t17-,18+,19-,20+,23?,24-,27+,28-,29+,30+/m1/s1

InChIKey

VVBWBGOEAVGFTN-BLGDFNBKSA-N

Smiles

C12=CC[C@@H]3[C@@]([C@@H]2C[C@H](O)[C@H](C1(C)C)O)(C(=O)C[C@@]1([C@@]3(C[C@H](O)[C@@H]1[C@](C(=O)CCC(O)(C)C)(O)C)C)C)C