(4R,4aS,7aR)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one (Q27163610)

Spectrum_001645 (English)

9 October 2016

chemical formula

C₂₀H₂₃NO₄

1 reference

Spectrum_001645 (English)

9 October 2016

canonical SMILES

C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O

1 reference

Spectrum_001645 (English)

9 October 2016

isomeric SMILES

C1CC1CN2CCC34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O

1 reference

Spectrum_001645 (English)

InChI=1S/C20H23NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,15,18,22,24H,1-2,5-10H2/t15-,18+,19?,20-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

Spectrum_001645 (English)

DQCKKXVULJGBQN-PODIIYFMSA-N

9 October 2016

InChIKey

2 references

Spectrum_001645 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

9 October 2016

2 references

Spectrum_001645 (English)

matched by identifier from

9 October 2016

InChIKey

DQCKKXVULJGBQN-PODIIYFMSA-N

ChEBI ID

91813

mapping relation type

2 references

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