(Q104950097)

English

[(1R,2S,3S,5R,8R,9S,11S,13R,14S,16S,17R,18S)-2,13,18-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] benzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,13,18-Trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl) benzoate

1 reference

1 reference

449.220223092 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₃₁NO₅

0 references

canonical SMILES

O=C(OC1CC2(C)CN3C4CC56C(O)C(=C)C7CC6C3C(C1O)(C42)C5(O)C7)C=8C=CC=CC8

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isomeric SMILES

C=C1[C@H]2C[C@@H]3[C@H]4N5C[C@]6(C)C[C@H](OC(=O)c7ccccc7)[C@@H](O)[C@@]47[C@@H]6[C@@H]5C[C@]3([C@@H]1O)[C@@]7(O)C2

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found in taxon

Aconitum sanyoense

1 reference

stated in

On the Alkaloidal Constituents of Aconitum sanyoense NAKAI var. tonense NAKAI.

Identifiers

InChI

InChI=1S/C27H31NO5/c1-13-15-8-16-20-27-19-17(10-25(16,21(13)29)26(27,32)9-15)28(20)12-24(19,2)11-18(22(27)30)33-23(31)14-6-4-3-5-7-14/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16+,17-,18-,19+,20+,21+,22+,24-,25-,26-,27+/m0/s1

0 references

InChIKey

BYXPUNYKMOQXSI-IYNWUZCWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BYXPUNYKMOQXSI-IYNWUZCWSA-N

(Q104950097)

[(1R,2S,3S,5R,8R,9S,11S,13R,14S,16S,17R,18S)-2,13,18-trihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] benzoate

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Identifiers

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