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Substance Name: 15-Deacetylsergeolide
RN: 95732-45-9
InChIKey: NPWJHTWCKHUSAM-UHFFFAOYSA-N

Note

  • Antileukemic quassinoid from Picrolemma pseudocoffea.

Molecular Formula

  • C23-H26-O10

Molecular Weight

  • 462.448
 
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Names and Synonyms

Name of Substance

  • 15-Deacetylsergeolide

Systematic Name

  • 3,13-Ethano-1H,10H-furo(3,4-c)furo(2',3':6,7)naphtho(2,3-b)pyran-3(3aH)-carboxylic acid, 4,5,6a,7,7a,8,12a,13-octahydro-4,14,15-trihydroxy-8,12a-dimethyl-5,10-dioxo-, methyl ester, (3R-(3alpha,3aalpha,4alpha,6aalpha,7abeta,8beta,12aalpha,13alpha,13aS*,14S*,15R*))-

Registry Numbers

CAS Registry Number

  • 95732-45-9

System Generated Number

  • 0095732459

Structure Descriptors

InChI

1S/C23H26O10/c1-8-9-4-13(24)32-11(9)6-21(2)10(8)5-12-22-7-31-23(20(29)30-3,18(27)14(25)16(21)22)17(22)15(26)19(28)33-12/h4,6,8,10,12,14-18,25-27H,5,7H2,1-3H3

InChIKey

NPWJHTWCKHUSAM-UHFFFAOYSA-N

Smiles

C1(C=C2[C@@H]([C@@H]3[C@@](C=C2O1)([C@@H]1[C@@]24[C@@H]([C@@H](C(=O)O[C@@H]2C3)O)[C@@]([C@@H]([C@@H]1O)O)(C(OC)=O)OC4)C)C)=O