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Substance Name: Thielocin A1alpha
RN: 134892-23-2
InChIKey: DEUPNPRGHXXEHM-UHFFFAOYSA-N

Note

  • Phospholipase A2 inhibitor.

Molecular Formula

  • C54-H60-O18

Molecular Weight

  • 997.05
 
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Names and Synonyms

Name of Substance

  • Thielocin A1alpha

Synonym

  • Theilocin A1alpha

Systematic Name

  • 1H-Xanthene-2,7-dicarboxylic acid, 4,4a,9,9a-tetrahydro-4,4a-dihydroxy-6-methoxy-3,4,5,8,9a-pentamethyl-1-oxo-, 2-(4-((4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl)-3-methoxy-2,5,6-trimethylphenyl) 7-(4-carboxy-3-metoxy-2,5,6-trimethylphenyl) ester, (4alpha,4aalpha,9abeta)-

Registry Numbers

CAS Registry Number

  • 134892-23-2

System Generated Number

  • 0134892232

Structure Descriptors

InChI

1S/C54H60O18/c1-20-23(4)38(27(8)42(65-15)33(20)47(56)57)69-49(60)35-22(3)25(6)40(29(10)44(35)67-17)71-51(62)37-31(12)53(14,63)54(64)52(13,46(37)55)19-32-26(7)36(45(68-18)30(11)41(32)72-54)50(61)70-39-24(5)21(2)34(48(58)59)43(66-16)28(39)9/h63-64H,19H2,1-18H3,(H,56,57)(H,58,59)

InChIKey

DEUPNPRGHXXEHM-UHFFFAOYSA-N

Smiles

Cc1c(c(c(c(c1C(=O)O)OC)C)OC(=O)c2c(c(c(c(c2OC)C)OC(=O)C3=C(C(C4(C(C3=O)(Cc5c(c(c(c(c5O4)C)OC)C(=O)Oc6c(c(c(c(c6C)OC)C(=O)O)C)C)C)C)O)(C)O)C)C)C)C