(4R,4aS,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one (Q27163628)

Spectrum_000051 (English)

9 October 2016

chemical formula

C₁₉H₂₁NO₄

1 reference

Spectrum_000051 (English)

9 October 2016

canonical SMILES

C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O

1 reference

Spectrum_000051 (English)

9 October 2016

isomeric SMILES

C=CCN1CC[C@]23C4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O

1 reference

Spectrum_000051 (English)

InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17?,18+,19-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Spectrum_000051 (English)

UZHSEJADLWPNLE-OGLQFSJHSA-N

9 October 2016

InChIKey

2 references

Spectrum_000051 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

17-Allyl-3,14-dihydroxy-4,5-epoxymorphinan-6-one (English)

9 October 2016

2 references

Spectrum_000051 (English)

matched by identifier from

9 October 2016

InChIKey

UZHSEJADLWPNLE-OGLQFSJHSA-N

ChEBI ID

91833

mapping relation type

2 references

(4R,4aS,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one (English)