(Q104920558)

English

(3S,3aS,11aS)-3,6-dimethyl-10-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one

chemical compound

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type of chemical entity

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subclass of

3,6-dimethyl-10-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

412.20971798399995 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3aR,6Z,10E,11aS)-3,6-dimethyl-10-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,3aS,6E,10Z,11aS)-3,6-dimethyl-10-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₈

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canonical SMILES

O=C1OC2C=C(COC3OC(CO)C(O)C(O)C3O)CCC=C(C)CCC2C1C

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isomeric SMILES

C/C1=C\CCC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1

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Identifiers

InChI

InChI=1S/C21H32O8/c1-11-4-3-5-13(8-15-14(7-6-11)12(2)20(26)28-15)10-27-21-19(25)18(24)17(23)16(9-22)29-21/h4,8,12,14-19,21-25H,3,5-7,9-10H2,1-2H3/b11-4+,13-8?/t12-,14-,15+,16+,17+,18-,19+,21+/m0/s1

0 references

InChIKey

AXHWCLOONAGWJC-HLPALLJUSA-N

0 references

PubChem CID

162889788

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

AXHWCLOONAGWJC-HLPALLJUSA-N

(Q104920558)

(3S,3aS,11aS)-3,6-dimethyl-10-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one

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