(Q115972436)

English

(1S,2S,6S,7S,9R,11S,13R,14S,16S,17R)-14,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,15-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

556.25197672 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₄₀O₁₂

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canonical SMILES

O=C1C(OC)=CC(C)C2CC3OC(OC4OC(CO)C(O)C(O)C4O)CC5C(O)(C(=O)C(O)C(C12C)C35C)C

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isomeric SMILES

COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C[C@@H]4[C@@]3(C)[C@H]([C@H](O)C(=O)[C@@]4(C)O)[C@@]2(C)C1=O

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found in taxon

Picrasma quassioides

1 reference

stated in

Quassinoids from Picrasma quassioides and Their Neuroprotective Effects

Identifiers

InChI

InChI=1S/C27H40O12/c1-10-6-12(36-5)22(33)25(2)11(10)7-15-26(3)14(27(4,35)23(34)20(32)21(25)26)8-16(38-15)39-24-19(31)18(30)17(29)13(9-28)37-24/h6,10-11,13-21,24,28-32,35H,7-9H2,1-5H3/t10-,11+,13-,14-,15-,16+,17-,18+,19-,20+,21-,24+,25+,26-,27+/m1/s1

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InChIKey

QCCHFXOVDGPLLX-VIFQSXCTSA-N

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2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

QCCHFXOVDGPLLX-VIFQSXCTSA-N

1 reference

(Q115972436)

(1S,2S,6S,7S,9R,11S,13R,14S,16S,17R)-14,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-11-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,15-dione

Statements

Identifiers

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