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Substance Name: Cancentrine
RN: 29477-90-5
UNII: 72U0C7PAAV
InChIKey: XWPPHGONALRWBY-IQXPYEGDSA-N

Molecular Formula

  • C36-H34-N2-O7

Molecular Weight

  • 606.6716
 
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Names and Synonyms

Name of Substance

  • Cancentrine

Synonyms

  • (4'S-(4'alpha,4'abeta,6'beta,6'abeta,11'Bs*))-1,1',2,2',3',4',4'a,5'-octahydro-7-hydroxy-5,8,8'-trimethoxy-3'-methylspiro(benzo(2,3)(1)benzoxepino(6,5,4-ghi)indolizine-12(11H),6'(6'ah)-(4,11)methanobenzofuro(3',2':2,3)cyclopenta(1,2-C)pyridin
  • Cancentrine
  • Spiro(benzo(2,3)(1)benzoxepino(6,5,4-ghi)indolizine-12(11H),6'(6'ah)-(4,11)methanobenzofuro(3',2':2,3)cyclopenta(1,2-C)pyridin)-11-one, 1,1',2,2',3',4',4'a,5'-octahydro-7-hydroxy-5,8,8'-trimethoxy-3'-methyl-, (4'S,4'as,6'S,6'as,11'br)-
  • UNII-72U0C7PAAV

Registry Numbers

CAS Registry Number

  • 29477-90-5

FDA UNII

  • 72U0C7PAAV

System Generated Number

  • 0029477905

Structure Descriptors

InChI

1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34+,35-,36-/m1/s1

InChIKey

XWPPHGONALRWBY-IQXPYEGDSA-N

Smiles

COc1ccc2C3=C4N(CCc5ccc(OC)c(Oc2c1O)c45)[C@]6(C[C@@H]7[C@@H]8Cc9ccc(OC)c%10O[C@H]6[C@@]7(CCN8C)c9%10)C3=O