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Substance Name: 1H-4,9a-Ethanocyclohepta(c)pyran-7-carboxylic acid, 3-((1E,3E)-4-carboxy-1,3-pentadienyl)-3,4,4a,5,6,9-hexahydro-4a-hydroxy-3-methyl-1-oxo-,7-methyl ester, (3R,4R,4aS,9aR)-rel-
RN: 82601-41-0
InChIKey: RBXVTEUAOTYIME-GPGKBOPFSA-N

Molecular Weight

  • 390.429
 
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Names and Synonyms

  • 1H-4,9a-Ethanocyclohepta(c)pyran-7-carboxylic acid, 3-((1E,3E)-4-carboxy-1,3-pentadienyl)-3,4,4a,5,6,9-hexahydro-4a-hydroxy-3-methyl-1-oxo-,7-methyl ester, (3R,4R,4aS,9aR)-rel-

Registry Numbers

CAS Registry Number

  • 82601-41-0

System Generated Number

  • 0082601410

Structure Descriptors

InChI

1S/C21H26O7/c1-13(16(22)23)5-4-9-19(2)15-8-11-20(18(25)28-19)10-6-14(17(24)27-3)7-12-21(15,20)26/h4-6,9,15,26H,7-8,10-12H2,1-3H3,(H,22,23)/b9-4+,13-5+/t15-,19+,20+,21-/m0/s1

InChIKey

RBXVTEUAOTYIME-GPGKBOPFSA-N

Smiles

C1([C@@]23[C@@]([C@H]([C@@](O1)(C)\C=C\C=C(/C)C(=O)O)CC3)(CCC(=CC2)C(=O)OC)O)=O