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Substance Name: 2,3-Naphthalenedicarboxylic acid, 1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-, bis((1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl) ester,(1R,2S)-
RN: 119152-54-4
InChIKey: VKWZFIDWHLCPHJ-SEVDZJIVSA-N

Note

  • Isolated from the stem of Rabdosia Japonica.

Molecular Formula

  • C36-H30-O16

Molecular Weight

  • 718.617
 
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Names and Synonyms

Synonym

  • Rabdosiin

Systematic Name

  • 2,3-Naphthalenedicarboxylic acid, 1-(3,4-dihydroxyphenyl)-1,2-dihydro-6,7-dihydroxy-, bis((1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl) ester,(1R,2S)-

Registry Numbers

CAS Registry Number

  • 119152-54-4

System Generated Number

  • 0119152544

Structure Descriptors

InChI

1S/C36H30O16/c37-21-4-1-15(7-24(21)40)9-29(33(45)46)51-35(49)20-11-18-13-27(43)28(44)14-19(18)31(17-3-6-23(39)26(42)12-17)32(20)36(50)52-30(34(47)48)10-16-2-5-22(38)25(41)8-16/h1-8,11-14,29-32,37-44H,9-10H2,(H,45,46)(H,47,48)/t29-,30-,31-,32-/m1/s1

InChIKey

VKWZFIDWHLCPHJ-SEVDZJIVSA-N

Smiles

c1cc(c(cc1C[C@H](C(=O)O)OC(=O)[C@H]2[C@@H](c3cc(c(cc3C=C2C(=O)O[C@H](Cc4ccc(c(c4)O)O)C(=O)O)O)O)c5ccc(c(c5)O)O)O)O