(Q105138271)

English

[3-(1-acetyloxyethyl)-1,6-bis(2-methylbutanoyloxy)-4-(2-methyloxiran-2-yl)-2-oxospiro[3,3a,4,5,6,7a-hexahydro-1H-indene-7,2'-oxirane]-5-yl] 4-acetyloxy-3-methylpent-2-enoate

group of stereoisomers with the chemical formula C₃₅H₅₀O₁₃

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instance of

group of stereoisomers

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subclass of

oplopane sesquiterpenoid

1 reference

inferred from

oplopane sesquiterpenoid

mass

678.3251416600001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₅₀O₁₃

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canonical SMILES

O=C(OC1C(OC(=O)C(C)CC)C2(OC2)C3C(OC(=O)C(C)CC)C(=O)C(C(OC(=O)C)C)C3C1C4(OC4)C)C=C(C)C(OC(=O)C)C

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Identifiers

InChI

InChI=1S/C35H50O13/c1-11-16(3)32(40)47-29-27-25(24(28(29)39)20(7)45-22(9)37)26(34(10)14-42-34)30(46-23(38)13-18(5)19(6)44-21(8)36)31(35(27)15-43-35)48-33(41)17(4)12-2/h13,16-17,19-20,24-27,29-31H,11-12,14-15H2,1-10H3

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InChIKey

KBIWUMHYWKJJQU-UHFFFAOYSA-N

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PubChem CID

163052160

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KBIWUMHYWKJJQU-UHFFFAOYSA-N

(Q105138271)

[3-(1-acetyloxyethyl)-1,6-bis(2-methylbutanoyloxy)-4-(2-methyloxiran-2-yl)-2-oxospiro[3,3a,4,5,6,7a-hexahydro-1H-indene-7,2'-oxirane]-5-yl] 4-acetyloxy-3-methylpent-2-enoate

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