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Substance Name: Methyl vinhaticoate
RN: 4614-52-2
InChIKey: WGCKZFPSDZZTHX-UXFJYJMNSA-N

Molecular Formula

  • C21-H30-O3

Molecular Weight

  • 322.4018
 
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Names and Synonyms

Results Name

  • Methyl vinhaticoate

Synonyms

  • Methyl 1,2,3,4abeta,5,6,6aalpha,7,11,11abeta,11b-dodecahydro-4alpha,7beta,11balpha-trimethylphenanthro(3,2-b)furan-4-carboxylate
  • Methyl vinhaticoate

Systematic Name

  • Phenanthro(3,2-b)furan-4-carboxylic acid, 1,2,3,4abeta,5,6,6aalpha,7,11,11abeta,11b-dodecahydro-4alpha,7beta,11balpha-trimethyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 4614-52-2

System Generated Number

  • 0004614522

Structure Descriptors

InChI

1S/C21H22O3/c1-12-13(2)24-19-11-18-14(10-16(12)19)7-8-17-15(20(22)23-4)6-5-9-21(17,18)3/h5-11,14,17-18H,1-4H3/t14-,17+,18+,21?/m0/s1

InChIKey

WGCKZFPSDZZTHX-UXFJYJMNSA-N

Smiles

Cc1c(oc2=C[C@@H]3[C@@H](C=C[C@H]4C3(C=CC=C4C(=O)OC)C)C=c12)C