(Q105033123)

English

[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-(2-methylpropanoyloxy)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[11-Ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-(2-methylpropanoyloxy)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate

1 reference

based on heuristic

inferred from SMILES

mass

684.362195864 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,3R,4S,5S,6S,8R,9R,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-(2-methylpropanoyloxy)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₃₇H₅₂N₂O₁₀

0 references

canonical SMILES

CCN1CC2(COC(=O)c3ccccc3NC(C)=O)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6OC(=O)C(C)C)C(O)(C(OC)C23)C14

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isomeric SMILES

CCN1C[C@]2(COC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)C(C)C)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

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found in taxon

Delphinium scabriflorum

1 reference

stated in

Diterpenoid alkaloids from the roots of Delphinium scabriflorum

Identifiers

InChI

InChI=1S/C37H52N2O10/c1-8-39-17-34(18-48-32(42)21-11-9-10-12-24(21)38-20(4)40)14-13-26(46-6)36-23-15-22-25(45-5)16-35(43,27(23)28(22)49-31(41)19(2)3)37(44,33(36)39)30(47-7)29(34)36/h9-12,19,22-23,25-30,33,43-44H,8,13-18H2,1-7H3,(H,38,40)/t22-,23-,25+,26+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1

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InChIKey

HSMSTEOBVIMRFO-HMZZHPSESA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105033123)

[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-(2-methylpropanoyloxy)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-acetamidobenzoate

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Identifiers

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