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Substance Name: Taxine A
RN: 1361-49-5
UNII: ORV5NB1NST
InChIKey: KOTXAHKUCAQPQA-MCBQMXOVSA-N

Molecular Formula

  • C35-H47-N-O10

Molecular Weight

  • 641.7533
 
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Names and Synonyms

Name of Substance

  • Taxine A

Synonyms

  • NSC 674284
  • UNII-ORV5NB1NST

Systematic Name

  • Benzenepropanoic acid, beta-(dimethylamino)-alpha-hydroxy-, 2,13-bis(acetyloxy)-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxotricyclo(9.3.1.1(4,8))hexadeca-3,11-dien-5-yl ester, (1S-(1R*,2S*,3E,5R*-(alphaS*,betaR*),7R*,8R*,10S*,13R*))-

Registry Numbers

CAS Registry Number

  • 1361-49-5

FDA UNII

  • ORV5NB1NST

System Generated Number

  • 0001361495

Structure Descriptors

InChI

1S/C35H47NO10/c1-18-24(44-19(2)37)15-23-26(45-20(3)38)14-22-17-35(6,32(42)30(40)28(18)34(23,4)5)27(39)16-25(22)46-33(43)31(41)29(36(7)8)21-12-10-9-11-13-21/h9-14,23-27,29-31,39-41H,15-17H2,1-8H3/b22-14+/t23-,24-,25-,26-,27-,29-,30+,31+,35-/m0/s1

InChIKey

KOTXAHKUCAQPQA-MCBQMXOVSA-N

Smiles

CN(C)[C@H]([C@@H](O)C(=O)O[C@H]1C[C@H](O)[C@]2(C)C/C/1=C\[C@H](OC(=O)C)[C@@H]3C[C@H](OC(=O)C)C(=C([C@@H](O)C2=O)C3(C)C)C)c4ccccc4