(Q104393494)

English

Aconitane-3,8,13,14,15-pentol, 4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

group of stereoisomers with the chemical formula C₃₁H₄₃NO₁₀

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Statements

instance of

group of stereoisomers

0 references

1 reference

589.288696576 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₃NO₁₀

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canonical SMILES

O=C(OC1C2C3CC1(O)C(OC)C(O)C2(O)C4C(OC)C5C6(COC)CN(C)C4C35C(OC)CC6O)C=7C=CC=CC7

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isomeric SMILES

COC[C@]12CN(C)[C@@H]3C4[C@H](OC)[C@H]1[C@]3(C1CC3(O)[C@@H](OC)[C@H](O)[C@@]4(O)[C@H]1[C@H]3OC(=O)c1ccccc1)[C@@H](OC)C[C@H]2O

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found in taxon

Aconitum carmichaelii

2 references

stated in

[Chemical studies on crude drug processing. IV. Aconiti tuber (3). Quantitative determination of aconitine alkaloids in aconiti tuber by means of high performance liquid chromatography]

stated in

Chemical studies on crude drug processing. III. Aconiti tuber (2). On the constituents of "pao-fuzi", the processed tuber of Aconitum carmichaeli Debx, and biological activities of lipo-alkaloids

Aconitum

2 references

stated in

Stimulating actions on ribonucleic acid biosynthesis of aconitines, diterpenic alkaloids of Aconitum roots

stated in

Studies on Aconitum Species. VIII. Components of "Kako-Bushi-Matsu"

Aconitum jaluense

1 reference

stated in

Diterpene alkaloids from Aconitum kirinense

Identifiers

InChI

InChI=1S/C31H43NO10/c1-32-13-28(14-38-2)17(33)11-18(39-3)30-16-12-29(36)25(42-27(35)15-9-7-6-8-10-15)19(16)31(37,24(34)26(29)41-5)20(23(30)32)21(40-4)22(28)30/h6-10,16-26,33-34,36-37H,11-14H2,1-5H3/t16?,17-,18+,19-,20?,21+,22-,23-,24+,25-,26+,28+,29?,30+,31-/m1/s1

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InChIKey

PULWZCUZNRVAHT-VBUZYTKISA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

PULWZCUZNRVAHT-VBUZYTKISA-N

1 reference

(Q104393494)

Aconitane-3,8,13,14,15-pentol, 4-(methoxymethyl)-20-methyl-1,6,16-trimethoxy-, 14-benzoate, (1-alpha,3-alpha,6-alpha,14-alpha,15-alpha,16-beta)-

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Identifiers

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