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Substance Name: Brevifoliol
RN: 134955-83-2
InChIKey: VWGCDYGRSUJYGJ-GPOPEEISSA-N

Molecular Weight

  • 556.648
 
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Names and Synonyms

Results Name

  • Brevifoliol

Synonyms

  • 2-Deacetoxytaxchinin A
  • Brevifoliol

Systematic Name

  • Benz(f)azulene-2,6,8,9,10(3H)-pentol, 2,4,4a,5,6,7,8,8a,9,10-decahydro-3a-(1-hydroxy-1-methylethyl)-1,8a-dimethyl-5-methylene-,8,9-diacetate 10-benzoate, (2S,3aS,4aR,6S,8S,8aS,9R,10R)-

Registry Numbers

CAS Registry Number

  • 134955-83-2

System Generated Number

  • 0134955832

Structure Descriptors

InChI

1S/C31H40O9/c1-16-21-14-31(29(5,6)37)15-23(35)17(2)25(31)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21-,22+,23+,24+,26-,27+,30+,31+/m1/s1

InChIKey

VWGCDYGRSUJYGJ-GPOPEEISSA-N

Smiles

C=1([C@H](C[C@@]2(C[C@H]3[C@@]([C@H]([C@@H](C12)OC(c1ccccc1)=O)OC(C)=O)([C@H](C[C@@H](C3=C)O)OC(C)=O)C)C(C)(C)O)O)C