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Substance Name: 3,4-Secotrachylobanoic acid
RN: 138950-24-0
InChIKey: YQNPESKMFNFNCE-IXCCLCRESA-N

Note

  • Isolated from the roots of Croton sonderianus.

Molecular Weight

  • 302.455
 
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Names and Synonyms

Name of Substance

  • 3,4-Secotrachylobanoic acid

Systematic Name

  • 1,2a-Methano-2aH-cyclopropa(b)naphthalene-6-propanoic acid, decahydro-1,6-dimethyl-5-(1-methylethenyl)-, (1R-(1alpha,1abeta,2aalpha,5beta,6alpha,6aalpha,7beta))-

Registry Numbers

CAS Registry Number

  • 138950-24-0

System Generated Number

  • 0138950240

Structure Descriptors

InChI

1S/C20H30O2/c1-12(2)13-7-8-20-10-17-16(19(17,3)11-20)9-15(20)14(13)5-6-18(21)22-4/h13-17H,1,5-11H2,2-4H3/t13-,14-,15+,16?,17+,19+,20?/m0/s1

InChIKey

YQNPESKMFNFNCE-IXCCLCRESA-N

Smiles

C1[C@@H]2[C@@H]3C[C@@H]4[C@H]([C@@H](CC[C@@]14C[C@@]23C)C(=C)C)CCC(=O)OC