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Substance Name: Javanicin D
RN: 126167-89-3
InChIKey: AXKONZQQIZYBRP-UFYCQJCNSA-N

Note

  • Quassinoid from Picrasma javinica.

Molecular Weight

  • 616.656
 
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Names and Synonyms

Name of Substance

  • Javanicin D

Systematic Name

  • 18-Norpicrasan-1-one, 2,12-bis(acetyloxy)-11-((1,3-benzodioxol-5-ylcarbonyl)oxy)-13-hydroxy-16-methoxy-, (2alpha,11alpha,12beta,16beta)-

Registry Numbers

CAS Registry Number

  • 126167-89-3

System Generated Number

  • 0126167893

Structure Descriptors

InChI

1S/C32H40O12/c1-15(33)41-20-10-8-18-12-23-31(4)22(13-24(38-6)43-23)32(5,37)28(42-16(2)34)25(26(31)30(18,3)27(20)35)44-29(36)17-7-9-19-21(11-17)40-14-39-19/h7,9,11,18,20,22-26,28,37H,8,10,12-14H2,1-6H3/t18-,20+,22-,23-,24+,25+,26-,28-,30+,31-,32+/m1/s1

InChIKey

AXKONZQQIZYBRP-UFYCQJCNSA-N

Smiles

O=C(O[C@H]1CC[C@H]2[C@@](C)([C@H]3[C@@H]([C@@H](OC(C)=O)[C@@](O)([C@H]4[C@]3(C)[C@@H](C2)O[C@@H](OC)C4)C)OC(=O)c2ccc3c(c2)OCO3)C1=O)C