(Q104962395)

English

(2S,3S,4R,5R)-2-[[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]oxy]-2-methyloxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]oxy]-2-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

628.335981116 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₈N₂O₉

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canonical SMILES

OC=1C=C2C(=CC1OC)C(N(OC3(OCC(O)C(O)C3O)C)CC2)CC4CC5C6=CC(OC)=C(OC)C=C6CCN5CC4CC

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isomeric SMILES

CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(O)cc2CCN1O[C@]1(C)OC[C@@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Alangium lamarckii

1 reference

stated in

Two Alangium alkaloids from Alangium lamarckii

Alangium salviifolium

1 reference

stated in

Two Alangium alkaloids from Alangium lamarckii

Identifiers

InChI

InChI=1S/C34H48N2O9/c1-6-19-17-35-9-7-21-14-30(42-4)31(43-5)16-23(21)25(35)11-22(19)12-26-24-15-29(41-3)27(37)13-20(24)8-10-36(26)45-34(2)33(40)32(39)28(38)18-44-34/h13-16,19,22,25-26,28,32-33,37-40H,6-12,17-18H2,1-5H3/t19-,22+,25-,26+,28+,32+,33-,34-/m0/s1

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InChIKey

CKIJLHKLOAUUBM-FIHWTREXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CKIJLHKLOAUUBM-FIHWTREXSA-N

(Q104962395)

(2S,3S,4R,5R)-2-[[(1R)-1-[[(2R,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-6-hydroxy-7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]oxy]-2-methyloxane-3,4,5-triol

Statements

Identifiers

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