(Q105112181)

English

2-[2-[4,5-Dihydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₈H₇₈O₁₆

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instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

910.5289864160005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₈H₇₈O₁₆

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canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OC3CCC4(C)C5C=CC6=C7CC(C)(C)CCC7(CO)C(O)CC6(C)C5(C)CCC4C3(C)C)C)C(OC8OC(C)C(O)C(O)C8O)C(O)C1O

0 references

Identifiers

InChI

InChI=1S/C48H78O16/c1-22-31(52)34(55)37(58)40(59-22)63-39-36(57)33(54)26(20-49)61-42(39)64-38-35(56)32(53)23(2)60-41(38)62-30-13-14-45(7)27(44(30,5)6)12-15-46(8)28(45)11-10-24-25-18-43(3,4)16-17-48(25,21-50)29(51)19-47(24,46)9/h10-11,22-23,26-42,49-58H,12-21H2,1-9H3

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InChIKey

IFHVGHIPUAYRLB-UHFFFAOYSA-N

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PubChem CID

163011926

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IFHVGHIPUAYRLB-UHFFFAOYSA-N

(Q105112181)

2-[2-[4,5-Dihydroxy-2-[[8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,14a-dodecahydropicen-3-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

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Identifiers

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