(Q104987457)

English

[(2R,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[4-[(2S,11S)-11-acetyloxy-4-oxo-9-propanoyl-1,5,9-triazacyclotridec-2-yl]phenoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

chemical compound

In more languages

default for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

{6-[(2-{4-[11-(acetyloxy)-4-oxo-9-propanoyl-1,5,9-triazacyclotridecan-2-yl]phenoxy}-4,5-dihydroxy-6-methyloxan-3-yl)oxy]-3,4,5-trihydroxyoxan-2-yl}methyl benzoate

1 reference

based on heuristic

inferred from InChIKey

817.36331806 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₅N₃O₁₅

0 references

canonical SMILES

CCC(=O)N1CCCNC(=O)CC(c2ccc(OC3OC(C)C(O)C(O)C3OC3OC(COC(=O)c4ccccc4)C(O)C(O)C3O)cc2)NCCC(OC(C)=O)C1

0 references

isomeric SMILES

CCC(=O)N1CCCNC(=O)C[C@@H](c2ccc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](COC(=O)c4ccccc4)[C@H](O)[C@H](O)[C@H]3O)cc2)NCC[C@H](OC(C)=O)C1

0 references

Meehania urticifolia

1 reference

Meehanines A-K, spermidine alkaloidal glycosides from Meehania urticifolia

Identifiers

InChI=1S/C40H55N3O15/c1-4-31(46)43-18-8-16-42-30(45)19-28(41-17-15-27(20-43)55-23(3)44)24-11-13-26(14-12-24)56-40-37(35(50)32(47)22(2)54-40)58-39-36(51)34(49)33(48)29(57-39)21-53-38(52)25-9-6-5-7-10-25/h5-7,9-14,22,27-29,32-37,39-41,47-51H,4,8,15-21H2,1-3H3,(H,42,45)/t22-,27-,28-,29+,32-,33-,34-,35+,36+,37+,39-,40-/m0/s1

0 references

DRLCTHNUDWWNCQ-FWADDONUSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

DRLCTHNUDWWNCQ-FWADDONUSA-N

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