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Substance Name: Gradolide
RN: 68852-48-2
InChIKey: BCRODGCGQKENCQ-WDJOZNPPSA-N

Molecular Weight

  • 446.537
 
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Names and Synonyms

Results Name

  • Gradolide

Synonym

  • Gradolide

Systematic Name

  • 2-Butenoic acid, 2-methyl-, (3S,3aR,4S,6S,6aS,9aS,9bS)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-6-hydroxy-3,6,9-trimethyl-2-oxoazuleno(4,5-b)furan-3,4-diyl ester, (2Z,2'Z)-

Registry Numbers

CAS Registry Number

  • 68852-48-2

System Generated Number

  • 0068852482

Structure Descriptors

InChI

1S/C25H34O7/c1-8-13(3)21(26)30-17-12-24(6,29)16-11-10-15(5)18(16)20-19(17)25(7,23(28)31-20)32-22(27)14(4)9-2/h8-10,16-20,29H,11-12H2,1-7H3/b13-8+,14-9+/t16-,17-,18+,19+,20-,24-,25-/m0/s1

InChIKey

BCRODGCGQKENCQ-WDJOZNPPSA-N

Smiles

O1[C@@H]2[C@H]([C@](C1=O)(C)OC(\C(=C\C)C)=O)[C@H](C[C@]([C@H]1CC=C([C@@H]21)C)(C)O)OC(\C(=C\C)C)=O