(Q105264468)

English

2-[(1E,3E,7E,9E,17E)-3-ethyl-14-hydroxy-5,9,11,13,15,17-hexamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-2,3-dihydropyran-6-one

group of stereoisomers with the chemical formula C₃₂H₄₈O₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

496.355260016 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₄

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canonical SMILES

O=C1OC(C=CC(=CC(C)CC=CC(=CC(C(=O)C(C)C(O)C(C)CC(=CC)C)C)C)CC)CC=C1

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isomeric SMILES

C/C=C(\C)CC(C)C(O)C(C)C(=O)C(C)/C=C(C)/C=C/CC(C)/C=C(/C=C/C1CC=CC(=O)O1)CC

1 reference

1 reference

Anguinomycins C and D, New Antitumor Antibiotics with Selective Cytotoxicity against Transformed Cells

Identifiers

InChI

InChI=1S/C32H48O4/c1-9-22(3)19-25(6)31(34)27(8)32(35)26(7)20-23(4)13-11-14-24(5)21-28(10-2)17-18-29-15-12-16-30(33)36-29/h9,11-13,16-18,20-21,24-27,29,31,34H,10,14-15,19H2,1-8H3/b13-11+,18-17+,22-9+,23-20+,28-21+

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InChIKey

SZXKSXNBIHAJNK-WEODIUEZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SZXKSXNBIHAJNK-WEODIUEZSA-N

1 reference

(Q105264468)

2-[(1E,3E,7E,9E,17E)-3-ethyl-14-hydroxy-5,9,11,13,15,17-hexamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-2,3-dihydropyran-6-one

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Identifiers

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