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Substance Name: Dihydrocucurbitacin E
RN: 28973-67-3
InChIKey: XZBVNQWNPRMHRH-LAMASETHSA-N

Molecular Formula

  • C32-H46-O8

Molecular Weight

  • 558.7074
 
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Names and Synonyms

Results Name

  • Dihydrocucurbitacin E

Synonyms

  • 23,24-Dihydrocucurbitacin E
  • Dihydrocucurbitacin E

Systematic Name

  • 19-Norlanosta-1,5-diene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9beta,10alpha,16alpha)-

Registry Numbers

CAS Registry Number

  • 28973-67-3

Other Registry Number

  • 19436-51-2

System Generated Number

  • 0028973673

Structure Descriptors

InChI

1S/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,14,19,21-22,25,34-35,39H,11-13,15-16H2,1-9H3/t19-,21-,22+,25+,29+,30-,31+,32+/m1/s1

InChIKey

XZBVNQWNPRMHRH-LAMASETHSA-N

Smiles

CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C