(Q105214546)

English

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

chemical compound

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instance of

type of chemical entity

0 references

subclass of

[11-Ethyl-8,9-dihydroxy-6,16,18-trimethoxy-4-(2-methylbutanoyloxy)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

mass

656.367281244 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₂N₂O₉

0 references

canonical SMILES

O=C(OCC12CN(CC)C3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5C6OC(=O)C(C)CC)C=7C=CC=CC7N

0 references

isomeric SMILES

CC[C@H](C)C(=O)O[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@]1(O)[C@H](OC)[C@@H]2[C@@]4(COC(=O)c5ccccc5N)CC[C@H](OC)[C@]32[C@H]1N(CC)C4

0 references

found in taxon

Delphinium potaninii var. jiufengshanense

1 reference

stated in

New C(19)-diterpenoid alkaloids from the roots of Delphinium potaninii var. jiufengshanense

Identifiers

InChI

InChI=1S/C36H52N2O9/c1-7-19(3)30(39)47-27-21-15-22-26(27)34(41,16-24(21)43-4)36(42)29(45-6)28-33(18-46-31(40)20-11-9-10-12-23(20)37)14-13-25(44-5)35(22,28)32(36)38(8-2)17-33/h9-12,19,21-22,24-29,32,41-42H,7-8,13-18,37H2,1-6H3/t19-,21+,22+,24-,25-,26+,27-,28+,29+,32+,33-,34+,35+,36-/m0/s1

0 references

InChIKey

PTCGTOJPHUAXFR-RINHXMQDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PTCGTOJPHUAXFR-RINHXMQDSA-N

(Q105214546)

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

Statements

Identifiers

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