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Substance Name: Nortrilobolide
RN: 136051-63-3
InChIKey: WEJWYRUDUWBNIB-YQMCDBNQSA-N

Note

  • A guaianolide; an ethanolic extract of the fruits of Thapsia garganica.

Molecular Weight

  • 508.5604
 
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Names and Synonyms

Name of Substance

  • Nortrilobolide

Synonym

  • (-)-Nortrilobolide

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-2-oxo-4-(1-oxobutoxy)azuleno(4,5-b)furan-8-yl ester, (3S-(3alpha,3abeta,4alpha,6beta,6abeta,8alpha(Z),9balpha))-

Registry Numbers

CAS Registry Number

  • 136051-63-3

System Generated Number

  • 0136051633

Structure Descriptors

InChI

1S/C26H36O10/c1-8-10-19(28)34-18-12-24(6,36-15(5)27)16-11-17(33-22(29)13(3)9-2)14(4)20(16)21-26(18,32)25(7,31)23(30)35-21/h9,16-18,21,31-32H,8,10-12H2,1-7H3/b13-9-/t16-,17+,18-,21-,24-,25+,26+/m0/s1

InChIKey

WEJWYRUDUWBNIB-YQMCDBNQSA-N

Smiles

CCCC(=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