(Q105142748)

English

2-[4,5-Dihydroxy-2-[5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₅H₇₂O₁₈

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instance of

group of stereoisomers

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1 reference

900.4718654640005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₇₂O₁₈

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canonical SMILES

OCC1OC(OCC2OC(OC3CC4=CCC5C(CCC6(C)C5CC7OC8(OCC(CO)CC8)C(C)C76)C4(C)CC3)C(OC9OC(C)C(O)C(O)C9O)C(O)C2O)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C45H72O18/c1-19-30-27(63-45(19)12-7-21(15-46)17-57-45)14-26-24-6-5-22-13-23(8-10-43(22,3)25(24)9-11-44(26,30)4)59-42-39(62-41-38(55)34(51)31(48)20(2)58-41)36(53)33(50)29(61-42)18-56-40-37(54)35(52)32(49)28(16-47)60-40/h5,19-21,23-42,46-55H,6-18H2,1-4H3

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InChIKey

KLPGHLHMPHUYIW-UHFFFAOYSA-N

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PubChem CID

85279178

1 reference

based on heuristic

inferred from InChIKey

(Q105142748)

2-[4,5-Dihydroxy-2-[5'-(hydroxymethyl)-7,9,13-trimethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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