(Q27134329)

CHEBI:65835 (English)

2-Deethoxy-2beta-methoxyphantomolin

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChIKey

[(1S,2S,6R,7S,9Z,11R)-11-methoxy-9,13-dimethyl-5-methylidene-4-oxo-3,14-dioxatricyclo[9.2.1.02,6]tetradeca-9,12-dien-7-yl] 2-methylprop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₄O₆

1 reference

CHEBI:65835 (English)

7 October 2016

canonical SMILES

CC1=CC2(C=C(C(O2)C3C(C(C1)OC(=O)C(=C)C)C(=C)C(=O)O3)C)OC

1 reference

CHEBI:65835 (English)

7 October 2016

isomeric SMILES

C/C/1=C\[C@]2(C=C([C@H](O2)[C@@H]3[C@@H]([C@H](C1)OC(=O)C(=C)C)C(=C)C(=O)O3)C)OC

1 reference

CHEBI:65835 (English)

InChI=1S/C20H24O6/c1-10(2)18(21)24-14-7-11(3)8-20(23-6)9-12(4)16(26-20)17-15(14)13(5)19(22)25-17/h8-9,14-17H,1,5,7H2,2-4,6H3/b11-8+/t14-,15+,16-,17-,20-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:65835 (English)

CSIBMGLPBAXXSG-FWTBDAJASA-N

7 October 2016

InChIKey

2 references

CHEBI:65835 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S,2S,6R,7S,9E,11S)-11-Methoxy-9,13-dimethyl-5-methylene-4-oxo-3,14-dioxatricyclo[9.2.1.0~2,6~]tetradeca-9,12-dien-7-yl methacrylate (English)

7 October 2016

2 references

CHEBI:65835 (English)

matched by identifier from

7 October 2016

InChIKey

CSIBMGLPBAXXSG-FWTBDAJASA-N

Reaxys registry number

9875998

1 reference

2beta-methoxy-2-deethoxyphantomolin (English)

7 October 2016

ChEBI ID

65835

mapping relation type

2 references

2beta-methoxy-2-deethoxyphantomolin (English)