(Q105214595)

English

[(1S,3R,15S,18S,19R,20R,21S,24R,25R,26S)-25-acetyloxy-19,20,26-trihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(25-Acetyloxy-19,20,26-trihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl)methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

619.226490244 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,3R,15S,18S,19R,20S,21S,24R,25S,26S)-25-acetyloxy-19,20,26-trihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₇NO₁₃

0 references

canonical SMILES

O=C1OCC2(OC34C(OC(=O)C)C2C(=O)CC4(COC(=O)C)C(O)C(O)C(OC(=O)C(C)CCC5=NC=CC=C15)C3(O)C)C

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isomeric SMILES

CC(=O)OC[C@]12CC(=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](O)[C@@H]2O)[C@]4(C)O

0 references

found in taxon

Plenckia populnea

1 reference

stated in

Constituents of the root wood of Austroplenckia populnea var. ovata

Identifiers

InChI

InChI=1S/C30H37NO13/c1-14-8-9-18-17(7-6-10-31-18)26(38)41-12-27(4)20-19(34)11-29(13-40-15(2)32)22(36)21(35)24(43-25(14)37)28(5,39)30(29,44-27)23(20)42-16(3)33/h6-7,10,14,20-24,35-36,39H,8-9,11-13H2,1-5H3/t14-,20+,21+,22-,23+,24-,27-,28-,29-,30-/m0/s1

0 references

InChIKey

PTEWEUOVIMGMBH-MOZJFFHCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PTEWEUOVIMGMBH-MOZJFFHCSA-N

(Q105214595)

[(1S,3R,15S,18S,19R,20R,21S,24R,25R,26S)-25-acetyloxy-19,20,26-trihydroxy-3,15,26-trimethyl-6,16,23-trioxo-2,5,17-trioxa-11-azapentacyclo[16.7.1.01,21.03,24.07,12]hexacosa-7(12),8,10-trien-21-yl]methyl acetate

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Identifiers

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