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Substance Name: Trilobolide
RN: 50657-07-3
InChIKey: FIAZIVNRHQWTPY-QAAPNFDWSA-N

Molecular Formula

  • C27-H38-O10

Molecular Weight

  • 522.5872
 
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Names and Synonyms

Name of Substance

  • Trilobolide

Synonyms

  • Silerin
  • Trilobolid

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-(2-methyl-1-oxobutoxy)-2-oxoazuleno(4,5-b)furan-8-yl ester, (3S-(3alpha,3abeta,4alpha(R*),6beta,6abeta,8alpha(Z),9balpha))-

Registry Numbers

CAS Registry Number

  • 50657-07-3

Other Registry Numbers

  • 11053-20-6
  • 90760-57-9

System Generated Number

  • 0050657073

Structure Descriptors

InChI

1S/C27H38O10/c1-9-13(3)22(29)34-18-11-17-20(15(18)5)21-27(33,26(8,32)24(31)36-21)19(35-23(30)14(4)10-2)12-25(17,7)37-16(6)28/h9,14,17-19,21,32-33H,10-12H2,1-8H3/b13-9-/t14-,17-,18+,19-,21-,25-,26+,27+/m0/s1

InChIKey

FIAZIVNRHQWTPY-QAAPNFDWSA-N

Smiles

CC[C@H](C)C(=O)O[C@H]1C[C@](C)(OC(=O)C)[C@H]2C[C@@H](OC(=O)\C(=C/C)\C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]13O)C