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Substance Name: Secalonic acid E
RN: 51152-25-1
UNII: OT6407B96O
InChIKey: DRYDKQOPVBDZMQ-FUADOUFMSA-N

Molecular Formula

  • C32-H30-O14

Molecular Weight

  • 638.575
 
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Names and Synonyms

Results Name

  • Secalonic acid E

Name of Substance

  • Secalonic acid E

Synonyms

  • (3R-(3alpha,4alpha,7(3'R*,4'R*,4'aS*)))-Dimethyl 2,2',3,3',4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-(7,7'-Bi-4aH-xanthene)-4a,4'a-dicarboxylate
  • Secalonic acid E
  • UNII-OT6407B96O

Systematic Name

  • (7,7'-Bi-4aH-xanthene)-4a,4'a-dicarboxylic acid, 2,2',3,3',4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-3,3'-dimethyl-9,9'-dioxo-, dimethyl ester, (3R-(3alpha,4alpha,7(3'R*,4'R*,4'aS*)))-

Registry Numbers

CAS Registry Number

  • 51152-25-1

FDA UNII

  • OT6407B96O

System Generated Number

  • 0051152251

Structure Descriptors

InChI

1S/C32H30O14/c1-11-9-15(33)21-25(37)19-17(45-31(21,27(11)39)29(41)43-3)7-5-13(23(19)35)14-6-8-18-20(24(14)36)26(38)22-16(34)10-12(2)28(40)32(22,46-18)30(42)44-4/h5-8,11-12,27-28,33-36,39-40H,9-10H2,1-4H3/t11-,12-,27-,28-,31+,32+/m1/s1

InChIKey

DRYDKQOPVBDZMQ-FUADOUFMSA-N

Smiles

C[C@@H]1CC(=C2C(=O)c3c(ccc(c3O)c4ccc5c(c4O)C(=O)C6=C(C[C@H]([C@H]([C@]6(O5)C(=O)OC)O)C)O)O[C@@]2([C@@H]1O)C(=O)OC)O