(4′S,4′aS,6′S,6′aS,11′bR)-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]-11-one

CAS Registry Number®

29477-90-5

CAS Name

(4′S,4′aS,6′S,6′aS,11′bR)-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]-11-one

Molecular Formula

C36H34N2O7

Molecular Mass

606.66

Cite this Page

(4′S,4′aS,6′S,6′aS,11′bR)-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]-11-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29477-90-5 (retrieved 2024-11-22) (CAS RN: 29477-90-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    238 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=XWPPHGONALRWBY-IQXPYEGDSA-N

SMILES

O=C1[C@]2([C@@]3([C@]45[C@](C2)([C@](CC6=C4C(O3)=C(OC)C=C6)(N(C)CC5)[H])[H])[H])N7C8=C1C=9C(OC=%10C8=C(CC7)C=CC%10OC)=C(O)C(OC)=CC9

Canonical SMILES

O=C1C=2C=3C=CC(OC)=C(O)C3OC=4C(OC)=CC=C5C4C2N(CC5)C16CC7C8N(C)CCC97C%10=C(OC69)C(OC)=CC=C%10C8

Other Names for this Substance

  • 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)-
  • Cancentrine
  • (4′S,4′aS,6′S,6′aS,11′bR)-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]-11-one
  • 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′α,4′aβ,6′β,6′aβ,11′bS*)]-
  • [4′S-(4′α,4′aβ,6′β,6′aβ,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]-11-one

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