(Q104920293)

English

[(1S,4aS,5R,7S,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] acetate

group of stereoisomers with the chemical formula C₁₉H₂₈O₁₂

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group of stereoisomers

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448.15807633599985 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₉H₂₈O₁₂

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canonical SMILES

O=C(OC1CC(OC(=O)C)(C)C2C(OC=CC12O)OC3OC(CO)C(O)C(O)C3O)C

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isomeric SMILES

CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)[C@H]2[C@H](OC3OC(CO)C(O)C(O)C3O)OC=C[C@]21O

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Identifiers

InChI

InChI=1S/C19H28O12/c1-8(21)28-11-6-18(3,31-9(2)22)15-17(27-5-4-19(11,15)26)30-16-14(25)13(24)12(23)10(7-20)29-16/h4-5,10-17,20,23-26H,6-7H2,1-3H3/t10?,11-,12?,13?,14?,15-,16?,17+,18+,19-/m1/s1

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InChIKey

AWUXVHWNYOXMDV-MJPGMLEWSA-N

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PubChem CID

163045322

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AWUXVHWNYOXMDV-MJPGMLEWSA-N

(Q104920293)

[(1S,4aS,5R,7S,7aS)-7-acetyloxy-4a-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] acetate

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