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Substance Name: Butanedioic acid, mono((2E)-5-((1S,4aR,5S,8aR)-5-carboxydecahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl) ester
RN: 90374-86-0
InChIKey: UNLBVDZKMBYCGV-RQDSQJSGSA-N

Molecular Formula

  • C24-H36-O6

Molecular Weight

  • 420.542
 
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Names and Synonyms

  • Butanedioic acid, mono((2E)-5-((1S,4aR,5S,8aR)-5-carboxydecahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)-3-methyl-2-pentenyl) ester

Registry Numbers

CAS Registry Number

  • 90374-86-0

System Generated Number

  • 0090374860

Structure Descriptors

InChI

1S/C24H36O6/c1-16(12-15-30-21(27)11-10-20(25)26)6-8-18-17(2)7-9-19-23(18,3)13-5-14-24(19,4)22(28)29/h12,18-19H,2,5-11,13-15H2,1,3-4H3,(H,25,26)(H,28,29)/b16-12+/t18-,19+,23+,24-/m0/s1

InChIKey

UNLBVDZKMBYCGV-RQDSQJSGSA-N

Smiles

C(CCC(=O)O)(=O)OC\C=C(\CC[C@H]1C(CC[C@H]2[C@@](CCC[C@@]12C)(C)C(=O)O)=C)C