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Substance Name: Cryptoporic acid E
RN: 120001-10-7
InChIKey: PCFMECNNYYMDRS-VTRNTCPLSA-N

Note

  • From fungus Cryptoporus volvatus; inhibitor of superoxide anion radical release; inhibits tumor promotion of okadaic acid.

Molecular Formula

  • C45-H68-O15

Molecular Weight

  • 849.017
 
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Names and Synonyms

Name of Substance

  • Cryptoporic acid E

Synonyms

  • CCRIS 6990
  • Cryptoporic acid E

Systematic Names

  • 1,2,3-Propanetricarboxylic acid, 1-((5-((2-(carboxymethyl)-3-((decahydro-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl)methoxy)-4-methoxy-1,4-dioxobutoxy)methyl)decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)methoxy)-, 1,2-dimethyl ester, (1S-(1alpha(1S*,2R*),4abeta,5beta(2R*,3S*(1R*,4aS*,5S*,8aR*)),8aalpha))-
  • Cryptoporic acid E

Registry Numbers

CAS Registry Number

  • 120001-10-7

System Generated Number

  • 0120001107

Structure Descriptors

InChI

1S/C45H68O15/c1-26-12-14-32-42(3,24-46)16-10-18-44(32,5)30(26)22-59-37(41(54)57-9)29(21-35(49)50)39(52)60-25-43(4)17-11-19-45(6)31(27(2)13-15-33(43)45)23-58-36(40(53)56-8)28(20-34(47)48)38(51)55-7/h28-33,36-37,46H,1-2,10-25H2,3-9H3,(H,47,48)(H,49,50)/t28-,29-,30-,31-,32-,33-,36+,37+,42-,43-,44+,45+/m0/s1

InChIKey

PCFMECNNYYMDRS-VTRNTCPLSA-N

Smiles

C1[C@@]2([C@H](C(CC[C@H]2[C@@](CC1)(CO)C)=C)CO[C@H]([C@H](CC(=O)O)C(OC[C@@]1([C@@H]2CCC(=C)[C@@H](CO[C@@H](C(OC)=O)[C@H](CC(O)=O)C(=O)OC)[C@@]2(CCC1)C)C)=O)C(=O)OC)C