(Q105279752)

English

2-[(4,5-dihydroxy-2-{7',9',13'-trimethyl-5-methylidene-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₄H₆₈O₁₈

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instance of

group of stereoisomers

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1 reference

884.4405653360005 dalton

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based on heuristic

inferred from InChI

chemical formula

C₄₄H₆₈O₁₈

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canonical SMILES

OC1CC2=CCC3C(CCC4(C)C3CC5OC6(OCC(=C)C(OC7OC(C)C(O)C(O)C7O)C6O)C(C)C54)C2(C)C(OC8OCC(O)C(O)C8OC9OC(C)C(O)C(O)C9O)C1

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Identifiers

InChI

InChI=1S/C44H68O18/c1-16-14-56-44(38(54)36(16)60-39-34(52)32(50)29(47)18(3)57-39)17(2)28-26(62-44)13-24-22-8-7-20-11-21(45)12-27(43(20,6)23(22)9-10-42(24,28)5)59-41-37(31(49)25(46)15-55-41)61-40-35(53)33(51)30(48)19(4)58-40/h7,17-19,21-41,45-54H,1,8-15H2,2-6H3

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InChIKey

UVCJHBMTEPSNQB-UHFFFAOYSA-N

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PubChem CID

85144075

1 reference

matched by identifier from

InChIKey

UVCJHBMTEPSNQB-UHFFFAOYSA-N

(Q105279752)

2-[(4,5-dihydroxy-2-{7',9',13'-trimethyl-5-methylidene-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0²,⁹.0⁴,⁸.0¹³,¹⁸]icosan]-18'-ene-3,16'-dioloxy}oxan-3-yl)oxy]-6-methyloxane-3,4,5-triol

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