(Q105330625)

English

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

group of stereoisomers with the chemical formula C₃₃H₄₆O₁₁

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instance of

group of stereoisomers

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subclass of

oplopane sesquiterpenoid

1 reference

inferred from

oplopane sesquiterpenoid

mass

618.3040122919999 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₄₆O₁₁

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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(=CC)C3C1C4(OC4)C)C=C(C)C(OC(=O)C)C

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Identifiers

InChI

InChI=1S/C33H46O11/c1-10-16(4)30(37)43-27-25-23(21(12-3)26(27)36)24(32(9)14-39-32)28(42-22(35)13-18(6)19(7)41-20(8)34)29(33(25)15-40-33)44-31(38)17(5)11-2/h12-13,16-17,19,23-25,27-29H,10-11,14-15H2,1-9H3

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InChIKey

XMBFVDGOXNSTRI-UHFFFAOYSA-N

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PubChem CID

162902294

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XMBFVDGOXNSTRI-UHFFFAOYSA-N

(Q105330625)

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

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