(Q110077635)

English

2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(2,5',7,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₉H₆₄O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

740.434692108 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₉H₆₄O₁₃

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canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C(CCC5C4CCC6C7C(OC8(OCC(C)CC8)C7C)CC56C)C3)CO)C(O)C(O)C1O

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found in taxon

Asparagus racemosus

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stated in

Cytotoxic steroidal saponins from the rhizomes of Asparagus oligoclonos

Asparagus oligoclonos

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stated in

Steroidal saponins from the roots of Asparagus racemosus

Identifiers

InChI

InChI=1S/C39H64O13/c1-18-9-12-39(47-17-18)19(2)28-24-8-7-22-23(38(24,4)14-25(28)52-39)6-5-20-13-21(10-11-37(20,22)3)48-36-34(32(45)30(43)27(16-41)50-36)51-35-33(46)31(44)29(42)26(15-40)49-35/h18-36,40-46H,5-17H2,1-4H3

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InChIKey

IATIAUOAJIFOSI-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q110077635)

2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(2,5',7,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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