(Q105368813)

English

[(1S,8S,10S,11R,12S,13R)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(3-Hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl) 3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

1 reference

1 reference

539.215531636 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,8S,10S,11R,12R,13S)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₃NO₉

0 references

canonical SMILES

O=C(OC1CC23C4=C(O)C(OC)=CC=C4C5OC(OC)(C1OC)C3(NCC2)C5)C=CC6=CC=C(OC)C(O)=C6

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isomeric SMILES

COc1ccc(/C=C/C(=O)O[C@@H]2C[C@]34CCN[C@@]35C[C@H](O[C@@]5(OC)[C@H]2OC)c2ccc(OC)c(O)c24)cc1O

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found in taxon

Stephania longa

1 reference

stated in

Hasubanan type alkaloids from Stephania longa

Identifiers

InChI

InChI=1S/C29H33NO9/c1-34-19-8-5-16(13-18(19)31)6-10-23(32)38-22-14-27-11-12-30-28(27)15-21(39-29(28,37-4)26(22)36-3)17-7-9-20(35-2)25(33)24(17)27/h5-10,13,21-22,26,30-31,33H,11-12,14-15H2,1-4H3/b10-6+/t21-,22+,26-,27-,28-,29-/m0/s1

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InChIKey

YYOXLLHHBARIFS-KUOQJWBMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YYOXLLHHBARIFS-KUOQJWBMSA-N

(Q105368813)

[(1S,8S,10S,11R,12S,13R)-3-hydroxy-4,11,12-trimethoxy-18-oxa-17-azapentacyclo[8.4.3.18,11.01,10.02,7]octadeca-2(7),3,5-trien-13-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate

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