(Q105217492)

English

2-[4,5-dihydroxy-2-[[12-hydroxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₁H₇₀O₁₃

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instance of

group of stereoisomers

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subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

770.4816423000003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₇₀O₁₃

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canonical SMILES

OCC1OC(OC2C(O)C(O)COC2OC3CCC4(C)C(CCC5(C)C4CC(O)C6C(CCC65C)C7(OC(CC7)C(O)(C)C)C)C3(C)C)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C41H70O13/c1-36(2)24-10-15-39(6)25(17-21(43)28-20(9-14-40(28,39)7)41(8)16-12-27(54-41)37(3,4)49)38(24,5)13-11-26(36)52-35-33(29(45)22(44)19-50-35)53-34-32(48)31(47)30(46)23(18-42)51-34/h20-35,42-49H,9-19H2,1-8H3

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InChIKey

QAKYPUDKYKSDPU-UHFFFAOYSA-N

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PubChem CID

72795394

1 reference

based on heuristic

inferred from InChIKey

(Q105217492)

2-[4,5-dihydroxy-2-[[12-hydroxy-17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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