(Q104995642)

English

[(1S,2R,3R,4R,5R,6S,7S,8S,9R,10R,13S,16S,17R,18S)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[(2S,3S,5R,8R,13S,17S)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

615.30434664 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,3R,4R,5R,6S,7S,8R,9R,10S,13S,16S,17R,18R)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₅NO₁₀

0 references

canonical SMILES

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

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isomeric SMILES

COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@@](OC(C)=O)([C@@H]([C@@H](OC)[C@H]13)[C@H]4N(C)C2)[C@H]5[C@H]6OC(=O)c1ccccc1

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found in taxon

Aconitum fauriei

1 reference

stated in

Über die Bildung von Ketonen aus Aconitum-alkaloiden. XIV. Mitteilung über Aconitum-alkaloide

Aconitum grossedentatum

1 reference

stated in

Über die Bildung von Ketonen aus Aconitum-alkaloiden. XIV. Mitteilung über Aconitum-alkaloide

Aconitum baicalense

1 reference

stated in

Mesaconitine and hypaconitine fromAconitum czekanovskyi

Aconitum

1 reference

stated in

Über Mesaconitin, ein zweites neues Aconitum-Alkaloid. (VI. Mitteilung über Aconitum-Alkaloide)

Aconitum jaluense var. glabrescens

1 reference

stated in

Norditerpenoid alkaloids from Aconitum manshuricum.

Aconitum turczaninowii

1 reference

stated in

Mesaconitine and hypaconitine fromAconitum czekanovskyi

Identifiers

InChI

InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23-,24-,25-,26+,27-,28+,30+,31-,32+,33+/m1/s1

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InChIKey

FIDOCHXHMJHKRW-AAFLAXEVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FIDOCHXHMJHKRW-AAFLAXEVSA-N

(Q104995642)

[(1S,2R,3R,4R,5R,6S,7S,8S,9R,10R,13S,16S,17R,18S)-8-acetyloxy-5,7-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Statements

Identifiers

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