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Substance Name: Isopinnatal
RN: 149471-07-8
InChIKey: NMLFNFAGOHGLMD-IKRSWNKOSA-N

Molecular Formula

  • C20-H18-O5

Molecular Weight

  • 338.3572
 
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Names and Synonyms

Name of Substance

  • Isopinnatal

Systematic Name

  • 1H-1,4a-Methanocyclopenta(b)naphtho(2,3-e)pyran-12-carboxaldehyde, 2,3,3a,5,10,11a-hexahydro-8-hydroxy-3a,12-dimethyl-5,10-dioxo-, (1S-(1alpha,3abeta,4aalpha,11abeta,12R*))-

Registry Numbers

CAS Registry Number

  • 149471-07-8

System Generated Number

  • 0149471078

Structure Descriptors

InChI

1S/C20H18O5/c1-18(9-21)13-5-6-19(2)14(13)8-15-16(23)12-7-10(22)3-4-11(12)17(24)20(15,18)25-19/h3-4,7-9,13-14,22H,5-6H2,1-2H3/t13-,14-,18-,19+,20?/m1/s1

InChIKey

NMLFNFAGOHGLMD-IKRSWNKOSA-N

Smiles

C[C@]12CC[C@@H]3[C@H]1C=C4C(=O)c5cc(ccc5C(=O)C4([C@]3(C)C=O)O2)O