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Substance Name: Thielocin A1beta
RN: 134933-42-9
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 A1beta

Synonym

  • Thielocin A1beta

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-methoxy-2,5,6-trimethylphenyl) ester, (4alpha,4abeta,9abeta)-

Registry Numbers

CAS Registry Number

  • 134933-42-9

System Generated Number

  • 0134933429

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

c1(c(c(c(c(c1C)OC)C(O)=O)C)C)OC(c1c(c2c(c(c1OC)C)O[C@@]1([C@@](C2)(C)C(C(C(Oc2c(c(c(C(Oc3c(c(c(c(c3C)C)C(O)=O)OC)C)=O)c(C)c2C)OC)C)=O)=C(C)[C@@]1(C)O)=O)O)C)=O