(Q105015110)

English

[(1R,2S,3S,4R,5R,6S,7S,8S,9R,10R,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14-tetrahydroxy-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

0 references

subclass of

[8-Acetyloxy-2,5,7,14-tetrahydroxy-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

[(1R,2S,3S,4R,5R,6S,7S,8S,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14-tetrahydroxy-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

647.29417588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₄₅NO₁₂

0 references

canonical SMILES

O=C(OC1C2C3(O)CC1(O)C(OC)C(O)C2(OC(=O)C)C4C(OC)C5C6(COC)CN(C)C4C53C(OC)CC6O)C=7C=CC=CC7

0 references

isomeric SMILES

COC[C@]12CN(C)[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@@]3([C@@H](OC)C[C@H]2O)[C@]1(O)C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1

0 references

found in taxon

Aconitum kusnezoffii

1 reference

stated in

Beiwudine, a norditerpenoid alkaloid from aconitum kusnezoffii

Identifiers

InChI

InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18-,19+,20+,21+,22-,23+,24-,25+,26-,27+,29+,30-,31+,32-,33+/m1/s1

0 references

InChIKey

GPTAWZLFSGYZGC-GWGVWUHLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GPTAWZLFSGYZGC-GWGVWUHLSA-N

1 reference

(Q105015110)

[(1R,2S,3S,4R,5R,6S,7S,8S,9R,10R,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14-tetrahydroxy-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

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Identifiers

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