(Q105311859)

English

2-[6-hydroxy-2-methyl-6-[4,4,8,10,14-pentamethyl-3-(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoxy]-6-methoxyoxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₂H₇₂O₁₃

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instance of

group of stereoisomers

0 references

subclass of

protostane/dammarane triterpenoid

1 reference

inferred from

protostane/dammarane triterpenoid

mass

784.4972923640004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₇₂O₁₃

0 references

canonical SMILES

OC1C(O)C(OC)OC(OCC(=CCCC(O)(C)C2CCC3(C)C2CCC4C5(C)CCC(OC6OC(OC)C(O)C(O)C6O)C(C)(C)C5CCC43C)C)C1O

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Identifiers

InChI

InChI=1S/C42H72O13/c1-22(21-52-36-32(47)28(43)30(45)34(50-8)54-36)11-10-17-42(7,49)24-14-19-40(5)23(24)12-13-26-39(4)18-16-27(38(2,3)25(39)15-20-41(26,40)6)53-37-33(48)29(44)31(46)35(51-9)55-37/h11,23-37,43-49H,10,12-21H2,1-9H3

0 references

InChIKey

WSHMMKXNPQFVHR-UHFFFAOYSA-N

0 references

PubChem CID

163042229

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WSHMMKXNPQFVHR-UHFFFAOYSA-N

(Q105311859)

2-[6-hydroxy-2-methyl-6-[4,4,8,10,14-pentamethyl-3-(3,4,5-trihydroxy-6-methoxyoxan-2-yl)oxy-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoxy]-6-methoxyoxane-3,4,5-triol

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