(Q104999435)

English

6,7,14-trimethoxy-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

group of stereoisomers with the chemical formula C₂₉H₃₂O₁₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

668.158864184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₂O₁₈

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canonical SMILES

O=C1OC=2C(OC)=C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)C=C5C(=O)OC6=C(OC)C(OC)=CC1=C6C25

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isomeric SMILES

COc1cc2c(=O)oc3c(OC)c(O[C@@H]4O[C@H](COC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc4c(=O)oc(c1OC)c2c34

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found in taxon

Psidium guajava

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stated in

Cytotoxic phenylethanol glycosides from Psidium guaijava seeds.

Identifiers

InChI

InChI=1S/C29H32O18/c1-39-10-4-8-14-15-9(27(38)46-24(14)22(10)40-2)5-11(23(41-3)25(15)47-26(8)37)43-29-21(36)19(34)17(32)13(45-29)7-42-28-20(35)18(33)16(31)12(6-30)44-28/h4-5,12-13,16-21,28-36H,6-7H2,1-3H3/t12-,13-,16-,17-,18+,19+,20-,21-,28?,29-/m1/s1

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InChIKey

FPVZFXNTEZVCGD-IHPDUBRASA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FPVZFXNTEZVCGD-IHPDUBRASA-N

(Q104999435)

6,7,14-trimethoxy-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

Statements

Identifiers

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