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Substance Name: Carolenin
RN: 38769-36-7
InChIKey: LGIHDROQWYPYRA-RXBVTCHFSA-N

Note

  • Guaianolide--sesquiterpene lactone from Helenium autumnale L.

Molecular Formula

  • C20-H28-O5

Molecular Weight

  • 348.4362
 
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Names and Synonyms

Name of Substance

  • Carolenin

Systematic Name

  • 2-Butenoic acid, 2-methyl-, 2,3,3a,4,4a,5,6,7,7a,9a-decahydro-5-hydroxy-3,5,8-trimethyl-2-oxoazuleno(6,5-b)furan-6-yl ester, (3S-(3alpha,3abeta,4abeta,5beta,6beta(Z),7abeta,9abeta))-

Registry Numbers

CAS Registry Number

  • 38769-36-7

System Generated Number

  • 0038769367

Structure Descriptors

InChI

1S/C20H28O5/c1-6-10(2)18(21)25-17-9-13-11(3)7-16-14(12(4)19(22)24-16)8-15(13)20(17,5)23/h6-7,12-17,23H,8-9H2,1-5H3/b10-6-/t12-,13-,14+,15+,16+,17+,20+/m0/s1

InChIKey

LGIHDROQWYPYRA-RXBVTCHFSA-N

Smiles

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