(Q104397914)

English

(1S,5R,6S,7S,8R,9R,10R,13R,14R,16S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol

group of stereoisomers with the chemical formula C₂₅H₄₁NO₉

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Statements

instance of

group of stereoisomers

0 references

1 reference

499.278131892 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₁NO₉

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canonical SMILES

OC1CC(OC)C23C4N(CC)CC1(COC)C3C(OC)C4C5(O)C(O)C(OC)C6(O)CC2C5C6O

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isomeric SMILES

CCN1C[C@@]2(COC)C3C(OC)[C@H]4[C@@H]1[C@@]3(C1C[C@@]3(O)C(O)C1[C@]4(O)[C@@H](O)[C@@H]3OC)[C@@H](OC)C[C@H]2O

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found in taxon

Aconitum liangshanicum

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stated in

Five new napelline-type diterpene alkaloids from Aconitum liangshanium.

Identifiers

InChI

InChI=1S/C25H41NO9/c1-6-26-9-22(10-32-2)12(27)7-13(33-3)24-11-8-23(30)19(28)14(11)25(31,20(29)21(23)35-5)15(18(24)26)16(34-4)17(22)24/h11-21,27-31H,6-10H2,1-5H3/t11?,12-,13+,14?,15+,16?,17?,18-,19?,20+,21+,22+,23-,24+,25-/m1/s1

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InChIKey

SQMGCPHFHQGPIF-NKAQDODWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SQMGCPHFHQGPIF-NKAQDODWSA-N

(Q104397914)

(1S,5R,6S,7S,8R,9R,10R,13R,14R,16S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,5,7,8,14-pentol

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Identifiers

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