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Substance Name: Secalonic acid F
RN: 60687-07-2
UNII: 48937PRF7X
InChIKey: DRYDKQOPVBDZMQ-XIBZLVKHSA-N

Molecular Weight

  • 638.575
 
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Names and Synonyms

Name of Substance

  • Secalonic acid F

Synonyms

  • (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, (3S,3's,4R,4's,4ar,4'ar)-
  • (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, (3S-(3alpha,4alpha,4abeta,7(3'R*,4'S*,4'aS*)))-
  • UNII-48937PRF7X

Registry Numbers

CAS Registry Number

  • 60687-07-2

FDA UNII

  • 48937PRF7X

System Generated Number

  • 0060687072

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+/m0/s1

InChIKey

DRYDKQOPVBDZMQ-XIBZLVKHSA-N

Smiles

c1(c2c(ccc1c1ccc3c(c1O)C(C=1[C@@](O3)([C@@H]([C@H](CC1O)C)O)C(=O)OC)=O)O[C@@]1([C@H]([C@H](CC(=C1C2=O)O)C)O)C(OC)=O)O