(Q104252960)

English

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

group of stereoisomers with the chemical formula C₃₈H₅₀N₂O₁₁

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Statements

instance of

group of stereoisomers

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1 reference

1 reference

710.3414604200001 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₈H₅₀N₂O₁₁

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canonical SMILES

O=C(OCC12CN(CC)C3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5C6OC(=O)C)C=7C=CC=CC7N8C(=O)CC(C8=O)C

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isomeric SMILES

CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CC(C)C3=O)CCC(OC)C34C5C[C@H]6C(OC(C)=O)C5[C@](O)(C[C@@H]6OC)[C@@](O)(C(OC)C32)C14

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found in taxon

Anderson's larkspur

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stated in

New Alkaloids from Delphinium andersonii Gray

Identifiers

InChI

InChI=1S/C38H50N2O11/c1-7-39-17-35(18-50-33(44)21-10-8-9-11-24(21)40-27(42)14-19(2)32(40)43)13-12-26(48-5)37-23-15-22-25(47-4)16-36(45,28(23)29(22)51-20(3)41)38(46,34(37)39)31(49-6)30(35)37/h8-11,19,22-23,25-26,28-31,34,45-46H,7,12-18H2,1-6H3/t19?,22-,23?,25+,26?,28?,29?,30?,31?,34?,35+,36-,37?,38-/m1/s1

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InChIKey

IPWQJEONCUFCOR-SKAPVSRZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IPWQJEONCUFCOR-SKAPVSRZSA-N

(Q104252960)

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

Statements

Identifiers

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