(Q104945243)

English

16-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-20-one

group of stereoisomers with the chemical formula C₄₄H₆₈O₁₇

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instance of

group of stereoisomers

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1 reference

869.0022 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₆₈O₁₇

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canonical SMILES

O=C1C=C2CC(OC3OC(CO)C(OC4OC(CO)C(O)C4O)C(O)C3OC5OC(C)C(O)C(O)C5O)CCC2(C)C6CCC7(C)C(CC8OC9(OCC(C)CC9)C(C)C87)C16

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Identifiers

InChI

InChI=1S/C44H68O17/c1-18-6-11-44(54-17-18)19(2)30-26(61-44)14-24-29-23(8-10-43(24,30)5)42(4)9-7-22(12-21(42)13-25(29)47)56-41-38(60-39-35(52)33(50)31(48)20(3)55-39)36(53)37(28(16-46)58-41)59-40-34(51)32(49)27(15-45)57-40/h13,18-20,22-24,26-41,45-46,48-53H,6-12,14-17H2,1-5H3

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InChIKey

BSGKCEAVSSADJL-UHFFFAOYSA-N

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PubChem CID

162933462

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

BSGKCEAVSSADJL-UHFFFAOYSA-N

(Q104945243)

16-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-20-one

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