(Q105153117)

English

[(5R,6S,8R,13S)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,13,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

group of stereoisomers with the chemical formula C₃₃H₄₅NO₁₀

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instance of

group of stereoisomers

0 references

1 reference

615.30434664 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₃H₄₅NO₁₀

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canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)C(O)C2(OC(=O)C)C4C(OC)C5C6(OC)CN(CC)C4C35C(OC)CC6)C=7C=CC=CC7

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isomeric SMILES

CCN1C[C@]2(OC)CCC(OC)C34C5C[C@@]6(O)C(OC(=O)c7ccccc7)C5[C@@](OC(C)=O)(C(C(OC)C32)C14)C(O)[C@@H]6OC

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found in taxon

Aconitum japonicum

2 references

stated in

Separation and purification of five alkaloids from Aconitum duclouxii by counter-current chromatography

stated in

Study on the Alkaloids in Tibetan Medicine Aconitum pendulum Busch by HPLC-MSn Combined with Column Chromatography

Aconitum karakolicum

2 references

stated in

Separation and purification of five alkaloids from Aconitum duclouxii by counter-current chromatography

stated in

Study on the Alkaloids in Tibetan Medicine Aconitum pendulum Busch by HPLC-MSn Combined with Column Chromatography

Aconitum kusnezoffii

3 references

stated in

Separation and purification of five alkaloids from Aconitum duclouxii by counter-current chromatography

stated in

Study on the Alkaloids in Tibetan Medicine Aconitum pendulum Busch by HPLC-MSn Combined with Column Chromatography

stated in

Characterization of aconitine‐type alkaloids in the flowers of Aconitum kusnezoffii by electrospray ionization tandem mass spectrometry

Aconitum pseudostapfianum

2 references

stated in

Separation and purification of five alkaloids from Aconitum duclouxii by counter-current chromatography

stated in

Study on the Alkaloids in Tibetan Medicine Aconitum pendulum Busch by HPLC-MSn Combined with Column Chromatography

Identifiers

InChI

InChI=1S/C33H45NO10/c1-7-34-16-30(42-6)14-13-20(39-3)32-19-15-31(38)27(43-29(37)18-11-9-8-10-12-18)21(19)33(44-17(2)35,26(36)28(31)41-5)22(25(32)34)23(40-4)24(30)32/h8-12,19-28,36,38H,7,13-16H2,1-6H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28-,30+,31+,32?,33+/m0/s1

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InChIKey

LKLPHWDWSQCGRK-DMMNHLJFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LKLPHWDWSQCGRK-DMMNHLJFSA-N

1 reference

(Q105153117)

[(5R,6S,8R,13S)-8-acetyloxy-11-ethyl-5,7-dihydroxy-6,13,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Statements

Identifiers

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