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Substance Name: Secalonic acid B
RN: 35287-71-9
UNII: STF85NNG7A
InChIKey: DRYDKQOPVBDZMQ-HFEWAROQSA-N

Molecular Formula

  • C32-H30-O14

Molecular Weight

  • 638.575
 
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Names and Synonyms

Name of Substance

  • Secalonic acid B

Synonyms

  • Acide secalonique B
  • UNII-STF85NNG7A

Systematic Name

  • Secalonic acid B

Registry Numbers

CAS Registry Number

  • 35287-71-9

FDA UNII

  • STF85NNG7A

System Generated Number

  • 0035287719

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-HFEWAROQSA-N

Smiles

c1c(c(c2c(O[C@@]3([C@H]([C@H](CC(=C3C2=O)O)C)O)C(OC)=O)c1)O)c1ccc2c(c1O)C(C=1[C@@](O2)([C@H]([C@H](CC1O)C)O)C(=O)OC)=O