(Q105385966)

English

[(1R,3R,4R,5R,8R,9S,11S,14R,17S,18R)-3-acetyloxy-5,7-dimethyl-12-methylidene-10,16-dioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-4-yl] 4-methoxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3-Acetyloxy-5,7-dimethyl-12-methylidene-10,16-dioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-4-yl) 4-methoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

533.24135246 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₅NO₇

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canonical SMILES

O=C(OC1C(OC(=O)C)CC23C4C(=O)CC56CC(=C)C(C(=O)C5C2N(C)CC14C)CC63)C7=CC=C(OC)C=C7

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isomeric SMILES

C=C1C[C@]23CC(=O)[C@@H]4[C@]5(C)CN(C)[C@@H]6[C@H]2C(=O)[C@H]1C[C@H]3[C@]46C[C@@H](OC(C)=O)[C@@H]5OC(=O)c1ccc(OC)cc1

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found in taxon

Aconitum contortum

1 reference

stated in

Studies on the Alkaloids from Aconitum contortum (II)

Identifiers

InChI

InChI=1S/C31H35NO7/c1-15-11-30-12-20(34)25-29(3)14-32(4)26-23(30)24(35)19(15)10-22(30)31(25,26)13-21(38-16(2)33)27(29)39-28(36)17-6-8-18(37-5)9-7-17/h6-9,19,21-23,25-27H,1,10-14H2,2-5H3/t19-,21+,22+,23+,25+,26+,27-,29-,30+,31+/m0/s1

0 references

InChIKey

ZYAZOLHJSNQEDA-ZSZHTTROSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105385966)

[(1R,3R,4R,5R,8R,9S,11S,14R,17S,18R)-3-acetyloxy-5,7-dimethyl-12-methylidene-10,16-dioxo-7-azahexacyclo[9.6.2.01,8.05,17.09,14.014,18]nonadecan-4-yl] 4-methoxybenzoate

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Identifiers

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