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Substance Name: DHPB
RN: 117855-87-5
InChIKey: RTRLXYBQXKHELY-MNPGUSKJSA-N

Note

  • From the seed oil of Jatropha curcas.

Molecular Formula

  • C44-H54-O8

Molecular Weight

  • 710.903
 
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Names and Synonyms

Results Name

  • DHPB

Name of Substance

  • 12-Deoxy-16-hydroxyphorbol-4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)-bicyclo(3.1.0)hexane-(13-O)-2'-(carboxylate)-(16-O)-3'-(8'-butenoic-10')ate

Synonym

  • CCRIS 3066

Systematic Name

  • 12-Deoxy-16-hydroxyphorbol-(4'-(12',14'-butadienyl)-6'-(16',18',20'-nonatrienyl)bicycle(3.1.0)hexane-(13-0)-2'-(carboxylate)-(16-0)-3'-butenoic-10')ate

Registry Numbers

CAS Registry Number

  • 117855-87-5

System Generated Number

  • 0117855875

Structure Descriptors

InChI

1S/C44H54O8/c1-6-8-10-11-12-13-14-17-31-35-29(16-9-7-2)30-18-15-19-34(46)52-43-22-27(4)44(50)32(38(43)41(43,5)25-51-40(48)37(30)36(31)35)21-28(24-45)23-42(49)33(44)20-26(3)39(42)47/h7,9-18,20-21,27,29-33,35-38,45,49-50H,2,6,8,19,22-25H2,1,3-5H3/b11-10+,13-12+,16-9-,17-14+,18-15+/t27-,29?,30?,31?,32+,33?,35?,36?,37?,38-,41-,42-,43+,44-/m1/s1

InChIKey

RTRLXYBQXKHELY-MNPGUSKJSA-N

Smiles

C1OC([C@@H]2[C@@H]([C@@H](\C=C/C=C)[C@@H]3[C@@H](\C=C\C=C\C=C\CCC)[C@@H]23)C=CCC(O[C@@]23[C@@H]([C@H]4[C@@]([C@@H](C2)C)(O)[C@@H]2[C@@](CC(=C4)CO)(C(C(=C2)C)=O)O)[C@@]13C)=O)=O