(Q83003859)

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-methylpropanoate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

644.283276848 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₄O₁₂

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canonical SMILES

O=C(OC1C(O)C23COC(OC(=O)C(C)C)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

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stated in

Toxic tetranortriterpenes of the fruit of Melia azedarach

Identifiers

InChI

InChI=1S/C34H44O12/c1-15(2)28(40)45-29-31(6)21-11-22(38)32(7)25(33(21,14-42-29)26(39)24(43-16(3)35)27(31)44-17(4)36)20(37)12-30(5)19(18-8-9-41-13-18)10-23-34(30,32)46-23/h8-9,13,15,19,21-27,29,38-39H,10-12,14H2,1-7H3

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InChIKey

RYOHUDAYJZTZOF-UHFFFAOYSA-N

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2 references

inferred from InChIKey

matched by identifier from

InChIKey

RYOHUDAYJZTZOF-UHFFFAOYSA-N

1 reference

1 reference

matched by identifier from

InChIKey

RYOHUDAYJZTZOF-UHFFFAOYSA-N

DSSTOX compound identifier

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2 references

inferred from InChIKey

matched by identifier from

InChIKey

RYOHUDAYJZTZOF-UHFFFAOYSA-N

(Q83003859)

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-methylpropanoate

Statements

Identifiers

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