(Q104252876)

English

(1S,2R,3S,4R,5S,6S,7S,8R,9S,13S,16R,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol

group of stereoisomers with the chemical formula C₂₄H₃₉NO₇

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Statements

instance of

group of stereoisomers

0 references

1 reference

453.272652588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₉NO₇

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canonical SMILES

OC1C2CC3C1C(O)(C(O)C2OC)C4C(OC)C5C6(COC)CN(CC)C4C35C(O)CC6

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isomeric SMILES

CCN1C[C@]2(COC)CC[C@@H](O)[C@]34C1[C@@H]([C@@H](OC)[C@H]23)[C@@]1(O)[C@@H](O)[C@@H](OC)[C@H]2C[C@@H]4[C@H]1[C@@H]2O

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found in taxon

Aconitum carmichaelii

2 references

stated in

[Alkaloids from Aconitum carmichaeli Debx]

stated in

A study ofaconitum alkaloids from aconite roots in Aconitum carmichaeli Debx using matrix-assisted laser desorption/ionization mass spectrometry

Identifiers

InChI

InChI=1S/C24H39NO7/c1-5-25-9-22(10-30-2)7-6-13(26)23-12-8-11-16(27)14(12)24(29,21(28)17(11)31-3)15(20(23)25)18(32-4)19(22)23/h11-21,26-29H,5-10H2,1-4H3/t11-,12+,13+,14-,15+,16+,17-,18+,19+,20?,21-,22-,23-,24+/m0/s1

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InChIKey

FPECZWKKKKZPPP-GIQCIQKJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FPECZWKKKKZPPP-GIQCIQKJSA-N

(Q104252876)

(1S,2R,3S,4R,5S,6S,7S,8R,9S,13S,16R,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,7,8,16-tetrol

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Identifiers

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