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Substance Name: Datiscoside
RN: 36067-56-8
InChIKey: RRPAPBCRZGEXTR-YBQIQLKBSA-N

Molecular Formula

  • C38-H54-O12

Molecular Weight

  • 702.8326
 
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Names and Synonyms

Name of Substance

  • Datiscoside

Synonyms

  • Cucurbitacin D dehydroepirhamnoside
  • Datisca principle A
  • Datiscoside
  • EINECS 252-860-3
  • NSC 144153

Systematic Name

  • (10alpha)-16alpha-((2-O-Acetyl-6-deoxy-alpha-L-ribo-hexopyranos-3-ulos-1-yl)oxy)-2beta,20,25-trihydroxy-9beta-methyl-19-norlanosta-5,23(E)-diene-3,11,22-trione

Registry Numbers

CAS Registry Number

  • 36067-56-8

System Generated Number

  • 0036067568

Structure Descriptors

InChI

1S/C38H54O12/c1-18-27(43)28(44)29(49-19(2)39)32(48-18)50-23-16-35(7)24-12-11-20-21(15-22(40)31(45)34(20,5)6)37(24,9)26(42)17-36(35,8)30(23)38(10,47)25(41)13-14-33(3,4)46/h11,13-14,18,21-24,27,29-30,32,40,43,46-47H,12,15-17H2,1-10H3/b14-13+/t18-,21?,22-,23+,24-,27-,29-,30?,32-,35-,36+,37-,38?/m0/s1

InChIKey

RRPAPBCRZGEXTR-YBQIQLKBSA-N

Smiles

C[C@@H]1O[C@@H](O[C@@H]2C[C@@]3(C)[C@@H]4CC=C5C(C[C@H](O)C(=O)C5(C)C)[C@]4(C)C(=O)C[C@]3(C)C2[C@@](C)(O)C(=O)\C=C\C(C)(C)O)[C@@H](OC(=O)C)C(=O)[C@H]1O