(Q82991036)

English

2,3-Bis(acetyloxy)-9-(furan-3-yl)-1,6-dihydroxy-4,6a,9a-trimethyl-11-oxotetradecahydro-1H-4,11b-(methanooxymethano)naphtho[1',2':6,7]indeno[1,7a-b]oxiren-14-yl 2-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

658.2989269120001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₆O₁₂

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canonical SMILES

O=C(OC1C(O)C23COC(OC(=O)C(C)CC)C(C)(C1OC(=O)C)C3CC(O)C4(C)C2C(=O)CC5(C)C(C6=COC=C6)CC7OC754)C

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found in taxon

Melia azedarach

1 reference

stated in

Toxic tetranortriterpenes of the fruit of Melia azedarach

Identifiers

InChI

InChI=1S/C35H46O12/c1-8-16(2)29(41)46-30-32(6)22-12-23(39)33(7)26(34(22,15-43-30)27(40)25(44-17(3)36)28(32)45-18(4)37)21(38)13-31(5)20(19-9-10-42-14-19)11-24-35(31,33)47-24/h9-10,14,16,20,22-28,30,39-40H,8,11-13,15H2,1-7H3

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InChIKey

PRAMYZIXNOZDQY-UHFFFAOYSA-N

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2 references

inferred from InChIKey

matched by identifier from

InChIKey

PRAMYZIXNOZDQY-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

PRAMYZIXNOZDQY-UHFFFAOYSA-N

DSSTOX compound identifier

0 references

2 references

inferred from InChIKey

matched by identifier from

InChIKey

PRAMYZIXNOZDQY-UHFFFAOYSA-N

(Q82991036)

2,3-Bis(acetyloxy)-9-(furan-3-yl)-1,6-dihydroxy-4,6a,9a-trimethyl-11-oxotetradecahydro-1H-4,11b-(methanooxymethano)naphtho[1',2':6,7]indeno[1,7a-b]oxiren-14-yl 2-methylbutanoate

Statements

Identifiers

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