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Substance Name: Rotundifuran
RN: 50656-65-0
UNII: T2UY9AYG4O
InChIKey: QKHCQFQIJKXMOE-UGFIEOPBSA-N

Note

  • A labdane type diterpene from Vitex rotundifolia, induces apoptosis in human myeloid leukaemia cells.

Molecular Formula

  • C22-H34-O4

Molecular Weight

  • 362.5066
 
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Names and Synonyms

Name of Substance

  • Rotundifuran

Synonym

  • UNII-T2UY9AYG4O

Registry Numbers

CAS Registry Number

  • 50656-65-0

FDA UNII

  • T2UY9AYG4O

System Generated Number

  • 0050656650

Structure Descriptors

InChI

1S/C22H34O4/c1-15-13-18(26-16(2)23)19-20(3,4)9-6-10-21(19,5)22(15,24)11-7-17-8-12-25-14-17/h8,12,14-15,18-19,24H,6-7,9-11,13H2,1-5H3/t15-,18-,19+,21+,22-/m1/s1

InChIKey

QKHCQFQIJKXMOE-UGFIEOPBSA-N

Smiles

C[C@@H]1C[C@H]([C@@H]2[C@@]([C@]1(CCc3ccoc3)O)(CCCC2(C)C)C)OC(=O)C