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Substance Name: 2-Hydroxymaprounic acid 2,3-bis(4-hydroxybenzoate)
RN: 155510-78-4
InChIKey: XPEVLOSUULAUFH-AHHVVZNJSA-N

Note

  • An HIV-1 reverse transcriptase inhibitor from Maprounea africana.

Molecular Formula

  • C44-H56-O8

Molecular Weight

  • 712.9184
 
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Names and Synonyms

Name of Substance

  • 2-Hydroxymaprounic acid 2,3-bis(4-hydroxybenzoate)

Synonym

  • Bis(hobz)-2-ohmap

Systematic Name

  • D-Friedoolean-14-en-28-oic acid, 1,3-bis((4-hydroxybenzoyl)oxy)-, (1beta,3beta)-

Registry Numbers

CAS Registry Number

  • 155510-78-4

System Generated Number

  • 0155510784

Structure Descriptors

InChI

1S/C44H56O8/c1-39(2)22-23-44(38(49)50)21-18-32-41(5)19-16-31-40(3,4)35(52-37(48)27-10-14-29(46)15-11-27)30(51-36(47)26-8-12-28(45)13-9-26)24-43(31,7)33(41)17-20-42(32,6)34(44)25-39/h8-15,18,30-31,33-35,45-46H,16-17,19-25H2,1-7H3,(H,49,50)/t30-,31+,33+,34+,35+,41+,42-,43+,44-/m1/s1

InChIKey

XPEVLOSUULAUFH-AHHVVZNJSA-N

Smiles

C[C@@]12CC[C@@H]3[C@@]([C@H]1CC[C@@]4(C2=CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C[C@H]([C@@H](C3(C)C)OC(=O)c6ccc(cc6)O)OC(=O)c7ccc(cc7)O)C