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Substance Name: Thapsivillosin A
RN: 81127-16-4
InChIKey: LWNKGMGHTUCOSK-OKZDCDEASA-N

Note

  • A sesquiterpene lactone; isolated from Thapsia villosa.

Molecular Formula

  • C32-H42-O12

Molecular Weight

  • 618.6718
 
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Names and Synonyms

Name of Substance

  • Thapsivillosin A

Systematic Name

  • 2-Butenoic acid, 2-methyl- 6-(acetyloxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-4-((3-methyl-1-oxo-2-butenyl)oxy)-2-oxoazuleno(4,5-b)furan-7,8-diyl ester, (3R-(3alpha,3abeta,4alpha,6beta,7beta(Z),8alpha(Z),9balpha))-

Registry Numbers

CAS Registry Number

  • 81127-16-4

System Generated Number

  • 0081127164

Structure Descriptors

InChI

1S/C32H42O12/c1-11-16(5)27(35)41-24-18(7)22-23(25(24)42-28(36)17(6)12-2)30(9,44-19(8)33)14-20(40-21(34)13-15(3)4)32(39)26(22)43-29(37)31(32,10)38/h11-13,20,23-26,38-39H,14H2,1-10H3/b16-11-,17-12-/t20-,23+,24-,25-,26-,30-,31+,32+/m0/s1

InChIKey

LWNKGMGHTUCOSK-OKZDCDEASA-N

Smiles

C\C=C(\C)/C(=O)O[C@@H]1[C@@H](OC(=O)\C(=C/C)\C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)C=C(C)C)C