(Q82007097)

English

Octahydromezerein

chemical compound

5,5a-Dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-6-oxo-2-phenyl-10a-(propan-2-yl)dodecahydro-2H,3bH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl 5-phenylpentanoate

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Statements

type of chemical entity

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chemical compound

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662.309097672 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₆O₁₀

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based on heuristic

inferred from SMILES

canonical SMILES

CC1CC2C(O)(C1=O)C(O)C1(CO)OC1C1C3OC4(c5ccccc5)OC3(C(C)C)C(OC(=O)CCCCc3ccccc3)C(C)C12O4

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C38H46O10/c1-21(2)36-30(44-27(40)18-12-11-15-24-13-7-5-8-14-24)23(4)37-26-19-22(3)29(41)35(26,43)33(42)34(20-39)31(45-34)28(37)32(36)46-38(47-36,48-37)25-16-9-6-10-17-25/h5-10,13-14,16-17,21-23,26,28,30-33,39,42-43H,11-12,15,18-20H2,1-4H3

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PXVGITCSLQQEDI-UHFFFAOYSA-N

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CAS Registry Number

reason for deprecated rank

deprecated identifier value

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UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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