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Substance Name: Ophiocordin
RN: 63590-19-2
InChIKey: QBHOTRLIPCHMGE-SAXZKVMDSA-N

Note

  • Metabolite of Cordyceps ophioglossoides.

Molecular Weight

  • 550.517
 
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Names and Synonyms

Name of Substance

  • Ophiocordin

Synonym

  • Balanol

Systematic Name

  • Benzoic acid, 4-(2-(((hexahydro-4-((4-hydroxybenzoyl)oxy)-1H-azepin-3-yl)amino)carbonyl)-6-hydroxybenzoyl)-3,5-dihydroxy-

Registry Numbers

CAS Registry Number

  • 63590-19-2

System Generated Number

  • 0063590192

Structure Descriptors

InChI

1S/C28H26N2O10/c31-15-8-6-14(7-9-15)25(36)30-18-13-29-10-2-4-17(18)28(27(39)40)11-20(33)23(21(34)12-28)24(35)22-16(26(37)38)3-1-5-19(22)32/h1-3,5-11,17-18,29,31-34H,4,12-13H2,(H,30,36)(H,37,38)(H,39,40)/t17-,18-,28?/m0/s1

InChIKey

QBHOTRLIPCHMGE-SAXZKVMDSA-N

Smiles

C([C@@]1(C=C(C(=C(C1)O)C(c1c(cccc1O)C(=O)O)=O)O)[C@@H]1[C@H](CNC=CC1)NC(c1ccc(cc1)O)=O)(=O)O