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Substance Name: 4-Acetylantroquinonol B
RN: 1187652-02-3
UNII: 72XZO87CZJ
InChIKey: XXAVUEUAHANHQA-ZXOJLNOSSA-N

Note

  • An antineoplastic agent isolated from Antrodia connamomea.

Molecular Formula

  • C26-H38-O7

Molecular Weight

  • 462.5792
 
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Names and Synonyms

Name of Substance

  • 4-Acetylantroquinonol B

Synonyms

  • 4-Aaqb
  • 4-Acetylantroquinonol B
  • UNII-72XZO87CZJ

Registry Numbers

CAS Registry Number

  • 1187652-02-3

FDA UNII

  • 72XZO87CZJ

System Generated Number

  • 1187652023

Structure Descriptors

InChI

1S/C26H38O7/c1-15(9-8-10-16(2)13-20-14-17(3)26(29)33-20)11-12-21-18(4)22(28)24(30-6)25(31-7)23(21)32-19(5)27/h10-11,17-18,20-21,23H,8-9,12-14H2,1-7H3/b15-11+,16-10+/t17-,18+,20-,21+,23+/m0/s1

InChIKey

XXAVUEUAHANHQA-ZXOJLNOSSA-N

Smiles

COC1=C(OC)C(=O)[C@H](C)[C@@H](C\C=C(/C)\CC\C=C(/C)\C[C@H]2C[C@H](C)C(=O)O2)[C@H]1OC(=O)C