(Q105144777)

English

2-{[4,5-dihydroxy-2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₆H₇₆O₁₇

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instance of

group of stereoisomers

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subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

900.5082509720005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₇₆O₁₇

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canonical SMILES

OC1COC(OC2CC3C4(C)CC(O)C(C5(OC(CC5)C(O)(C)C)C)C4(C)CCC63CC76CCC(OC8OCC(O)C(O)C8OC9OC(C)C(O)C(O)C9O)C(C)(C)C27)C(O)C1O

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Identifiers

InChI

InChI=1S/C46H76O17/c1-20-28(50)31(53)33(55)38(59-20)62-34-30(52)23(49)18-58-39(34)61-26-10-12-46-19-45(46)14-13-42(6)35(44(8)11-9-27(63-44)41(4,5)56)21(47)16-43(42,7)25(45)15-24(36(46)40(26,2)3)60-37-32(54)29(51)22(48)17-57-37/h20-39,47-56H,9-19H2,1-8H3

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InChIKey

KQSZHSKJNNXOTD-UHFFFAOYSA-N

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PubChem CID

5176453

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KQSZHSKJNNXOTD-UHFFFAOYSA-N

1 reference

(Q105144777)

2-{[4,5-dihydroxy-2-({14-hydroxy-15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethyl-9-[(3,4,5-trihydroxyoxan-2-yl)oxy]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-6-yl}oxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

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