(Q105291539)

English

(3S)-4alpha-Isopropyl-3alpha,5beta-dihydroxy-1-[((E)-2-methyl-2-butenoyloxy)methyl]-1-cyclohexen-6-one 3-[(E)-2-methyl-2-butenoate]5-acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[5-Acetyloxy-3-(2-methylbut-2-enoyloxy)-6-oxo-4-propan-2-ylcyclohexen-1-yl]methyl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

406.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₇

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canonical SMILES

O=C(OCC1=CC(OC(=O)C(=CC)C)C(C(OC(=O)C)C1=O)C(C)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)OCC1=C[C@H](OC(=O)/C(C)=C/C)[C@H](C(C)C)[C@@H](OC(C)=O)C1=O

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found in taxon

Sphaeranthus bullatus

1 reference

stated in

Carvotacetone derivatives and eudesman-12,6β-olides from Sphaeranthus species

Identifiers

InChI

InChI=1S/C22H30O7/c1-8-13(5)21(25)27-11-16-10-17(29-22(26)14(6)9-2)18(12(3)4)20(19(16)24)28-15(7)23/h8-10,12,17-18,20H,11H2,1-7H3/b13-8+,14-9+/t17-,18-,20+/m0/s1

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InChIKey

VQVOLXGHPXSBKK-ZDKFFNMDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VQVOLXGHPXSBKK-ZDKFFNMDSA-N

1 reference

(Q105291539)

(3S)-4alpha-Isopropyl-3alpha,5beta-dihydroxy-1-[((E)-2-methyl-2-butenoyloxy)methyl]-1-cyclohexen-6-one 3-[(E)-2-methyl-2-butenoate]5-acetate

Statements

Identifiers

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