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Substance Name: Butanedioic acid, mono(1,2,3,6a,9a,11-hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-3-yl) ester, (3S-(3alpha,6aalpha,9aalpha))-
RN: 78261-83-3
InChIKey: VKKLXWDQQNCHAY-PZLHRIISSA-N

Molecular Formula

  • C21-H16-O10

Molecular Weight

  • 428.3474
 
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Names and Synonyms

  • Butanedioic acid, mono(1,2,3,6a,9a,11-hexahydro-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-3-yl) ester, (3S-(3alpha,6aalpha,9aalpha))-

Registry Numbers

CAS Registry Number

  • 78261-83-3

System Generated Number

  • 0078261833

Structure Descriptors

InChI

1S/C21H16O10/c1-27-10-7-12-15(8-4-5-28-21(8)30-12)19-18(10)17-11(29-14(25)3-2-13(23)24)6-9(22)16(17)20(26)31-19/h4-5,7-8,11,21H,2-3,6H2,1H3,(H,23,24)/t8-,11-,21+/m0/s1

InChIKey

VKKLXWDQQNCHAY-PZLHRIISSA-N

Smiles

COc1cc2O[C@H]3OC=C[C@H]3c2c4OC(=O)C5=C([C@H](CC5=O)OC(=O)CCC(=O)O)c14