(Q105384920)

English

(2S)-3alpha-Ethenyl-2beta-[6-O-[[(3S)-4,4abeta,5,6-tetrahydro-3beta-(beta-D-glucopyranosyloxy)-4alpha-ethenyl-8-oxo-3H,8H-pyrano[3,4-c]pyran]-6beta-yl]-beta-D-glucopyranosyloxy]-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4alpha-acetic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

2-[3-ethenyl-2-[6-[[5-ethenyl-1-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-methoxycarbonyl-3,4-dihydro-2H-pyran-4-yl]acetic acid

1 reference

based on heuristic

inferred from SMILES

760.242593808 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

ZWGHYMXWGJTBGB-FUSYMUSWSA-N

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

ZWGHYMXWGJTBGB-VEHQWJMJSA-N

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S)-3alpha-Ethenyl-2beta-[6-O-[[(3S)-4,4abeta,5,6-tetrahydro-3beta-(beta-D-glucopyranosyloxy)-4alpha-ethenyl-8-oxo-3H,8H-pyrano[3,4-c]pyran]-6alpha-yl]-beta-D-glucopyranosyloxy]-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4alpha-acetic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₄O₂₀

0 references

canonical SMILES

O=C(O)CC1C(=COC(OC2OC(COC3OC(=O)C4=COC(OC5OC(CO)C(O)C(O)C5O)C(C=C)C4C3)C(O)C(O)C2O)C1C=C)C(=O)OC

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isomeric SMILES

C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO[C@@H]3C[C@@H]4C(=CO[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H]4C=C)C(=O)O3)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O

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Sinoadina racemosa

1 reference

Six secoiridoid glucosides from Adina racemosa

Identifiers

InChI=1S/C33H44O20/c1-4-12-14(6-20(35)36)16(28(43)45-3)9-47-30(12)53-33-27(42)25(40)23(38)19(50-33)11-46-21-7-15-13(5-2)31(48-10-17(15)29(44)51-21)52-32-26(41)24(39)22(37)18(8-34)49-32/h4-5,9-10,12-15,18-19,21-27,30-34,37-42H,1-2,6-8,11H2,3H3,(H,35,36)/t12-,13-,14+,15+,18-,19-,21+,22-,23-,24+,25+,26-,27-,30+,31+,32+,33+/m1/s1

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ZWGHYMXWGJTBGB-YEYBAKBDSA-N

0 references

2 references

15 September 2022

matched by identifier from

ZWGHYMXWGJTBGB-YEYBAKBDSA-N

UniChem compound ID

1 reference

Sitelinks

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