(Q104946086)

English

(1r,4'r,4''S)-6,11''-dimethoxy-5''-methyl-2,3,4,9-tetrahydrodispiro[pyrido[3,4-b]indole-1,1'-cyclohexane-4',2''-[5]azatricyclo[6.3.1.0⁴,¹²]dodecane]-1''(11''),8''(12''),9''-trien-10''-ol

chemical compound

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instance of

type of chemical entity

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1 reference

473.26784198 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1s,4's,4''S)-6,11''-dimethoxy-5''-methyl-2,3,4,9-tetrahydrodispiro[pyrido[3,4-b]indole-1,1'-cyclohexane-4',2''-[5]azatricyclo[6.3.1.0⁴,¹²]dodecane]-1''(11''),8''(12''),9''-trien-10''-ol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₅N₃O₃

0 references

canonical SMILES

OC=1C=C2C3=C(C1OC)C4(CCC5(NCCC=6C=7C=C(OC)C=CC7NC65)CC4)CC3N(C)CC2

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isomeric SMILES

COc1ccc2[nH]c3c(c2c1)CCN[C@]31CC[C@]2(CC1)C[C@H]1c3c(cc(O)c(OC)c32)CCN1C

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found in taxon

Phoebe grandis

1 reference

stated in

Phoebegrandines A and B, proaporphine-tryptamine dimers, from Phoebe grandis

Identifiers

InChI

InChI=1S/C29H35N3O3/c1-32-13-7-17-14-23(33)26(35-3)25-24(17)22(32)16-28(25)8-10-29(11-9-28)27-19(6-12-30-29)20-15-18(34-2)4-5-21(20)31-27/h4-5,14-15,22,30-31,33H,6-13,16H2,1-3H3/t22-,28-,29-/m0/s1

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InChIKey

BUGROTGOGCYEDH-ZRKWFTTGSA-N

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(Q104946086)

(1r,4'r,4''S)-6,11''-dimethoxy-5''-methyl-2,3,4,9-tetrahydrodispiro[pyrido[3,4-b]indole-1,1'-cyclohexane-4',2''-[5]azatricyclo[6.3.1.0⁴,¹²]dodecane]-1''(11''),8''(12''),9''-trien-10''-ol

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