(Q82925702)

English

12-O-Decanoylphorbol-13-(2-methylbutyrate)

group of stereoisomers with the chemical formula C₃₅H₅₄O₈

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instance of

group of stereoisomers

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1 reference

602.3818686879998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₅H₅₄O₈

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canonical SMILES

O=C(OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(=CC32)C)C4C1(OC(=O)C(C)CC)C4(C)C)CCCCCCCCC

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isomeric SMILES

CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)C(C=C(CO)C[C@]3(O)C(=O)C(C)=CC23)C2C(C)(C)[C@@]21OC(=O)C(C)CC

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Identifiers

InChI

InChI=1S/C35H54O8/c1-8-10-11-12-13-14-15-16-27(37)42-30-23(5)34(41)25(28-32(6,7)35(28,30)43-31(39)21(3)9-2)18-24(20-36)19-33(40)26(34)17-22(4)29(33)38/h17-18,21,23,25-26,28,30,36,40-41H,8-16,19-20H2,1-7H3/t21?,23-,25?,26?,28?,30-,33-,34-,35-/m1/s1

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InChIKey

MJYTZOPOHSKFOT-ZAJMFEHASA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

MJYTZOPOHSKFOT-ZAJMFEHASA-N

1 reference

1 reference

matched by identifier from

InChIKey

MJYTZOPOHSKFOT-ZAJMFEHASA-N

DSSTOX compound identifier

DTXCID101376138

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(Q82925702)

12-O-Decanoylphorbol-13-(2-methylbutyrate)

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