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(Q105132005)

English

[(1S,3R,13S,14R,17S,18S,19S,20S,21R,22R,23R,24R,25S)-18,19,20,22,24-pentaacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-21-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

(18,19,20,22,24-Pentaacetyloxy-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-21-yl)methyl benzoate

1 reference

based on heuristic

inferred from SMILES

867.294963728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₄₉NO₁₈

0 references

canonical SMILES

O=C(OCC1C(OC(=O)C)C2C(OC(=O)C)C34OC2(C)COC(=O)C5=CC=CN=C5C(C)C(C(=O)OC(C(OC(=O)C)C(OC(=O)C)C13OC(=O)C)C4(O)C)C)C=6C=CC=CC6

0 references

isomeric SMILES

CC(=O)O[C@H]1[C@@H]2OC(=O)[C@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@@H](COC(=O)c3ccccc3)[C@]4(OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O

0 references

Monteverdia horrida

1 reference

Triterpenes from Maytenus horrida

Identifiers

InChI=1S/C43H49NO18/c1-20-21(2)37(50)60-35-33(57-23(4)46)36(59-25(6)48)42(61-26(7)49)29(18-54-38(51)27-14-11-10-12-15-27)32(56-22(3)45)30-34(58-24(5)47)43(42,41(35,9)53)62-40(30,8)19-55-39(52)28-16-13-17-44-31(20)28/h10-17,20-21,29-30,32-36,53H,18-19H2,1-9H3/t20-,21+,29+,30+,32+,33-,34+,35-,36-,40-,41-,42-,43-/m0/s1

0 references

JNMRCLVLCNFNNP-VNNJEQTMSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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