(Q104913900)

English

(12S,13S,14S,16R)-13-hydroxy-13-methyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,11,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),5,8-tetraen-4-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

13-Hydroxy-13-methyl-14-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,11,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),5,8-tetraen-4-one

1 reference

based on heuristic

inferred from SMILES

mass

438.116211524 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₁₁

0 references

canonical SMILES

O=C1OC2=C(C=C1)C=CC=3OC4C(OC(OC5OC(CO)C(O)C(O)C5O)C4(O)C)C32

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isomeric SMILES

C[C@@]1(O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]2c3c(ccc4ccc(=O)oc34)O[C@@H]21

0 references

found in taxon

Kitagawia praeruptora

1 reference

stated in

1H and 13C NMR assignments for two new angular furanocoumarin glycosides from Peucedanum praeruptorum

Identifiers

InChI

InChI=1S/C20H22O11/c1-20(26)17-16(11-8(27-17)4-2-7-3-5-10(22)29-15(7)11)30-19(20)31-18-14(25)13(24)12(23)9(6-21)28-18/h2-5,9,12-14,16-19,21,23-26H,6H2,1H3/t9-,12-,13+,14-,16-,17+,18+,19+,20+/m1/s1

0 references

InChIKey

AKXFCIJCZSDVRU-OHJJPZCZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AKXFCIJCZSDVRU-OHJJPZCZSA-N

(Q104913900)

(12S,13S,14S,16R)-13-hydroxy-13-methyl-14-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,11,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2(7),5,8-tetraen-4-one

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