(Q105346902)

English

[4,5-Diacetyloxy-6-[(19-acetyloxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl)oxy]oxan-3-yl] 3-(4-acetyloxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₅₂H₇₂O₁₂

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instance of

group of stereoisomers

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subclass of

serratane triterpenoid

1 reference

inferred from

serratane triterpenoid

mass

888.5023777440003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₂H₇₂O₁₂

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canonical SMILES

O=C(OC1COC(OC2CCC3(C)C(CCC4(C)CC5=CCC6C(C)(C)C(OC(=O)C)CCC6(C)C5CCC43)C2(C)C)C(OC(=O)C)C1OC(=O)C)C=CC7=CC=C(OC(=O)C)C=C7

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Identifiers

InChI

InChI=1S/C52H72O12/c1-30(53)59-36-16-12-34(13-17-36)14-21-44(57)63-38-29-58-47(46(62-33(4)56)45(38)61-32(3)55)64-43-24-27-52(11)40(49(43,7)8)22-25-50(9)28-35-15-19-39-48(5,6)42(60-31(2)54)23-26-51(39,10)37(35)18-20-41(50)52/h12-17,21,37-43,45-47H,18-20,22-29H2,1-11H3

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InChIKey

YDQIPILJJKOWCG-UHFFFAOYSA-N

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PubChem CID

163091558

1 reference

based on heuristic

inferred from InChIKey

(Q105346902)

[4,5-Diacetyloxy-6-[(19-acetyloxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl)oxy]oxan-3-yl] 3-(4-acetyloxyphenyl)prop-2-enoate

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