(4R,4aS,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol (Q27166160)

SCHEMBL722708 (English)

9 October 2016

chemical formula

C₂₁H₂₇NO₄

1 reference

SCHEMBL722708 (English)

9 October 2016

canonical SMILES

C1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O

1 reference

SCHEMBL722708 (English)

9 October 2016

isomeric SMILES

C1CC(C1)CN2CC[C@]34C5C(CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O

1 reference

SCHEMBL722708 (English)

InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15?,16-,19?,20+,21-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

SCHEMBL722708 (English)

NETZHAKZCGBWSS-OCKIPSRKSA-N

9 October 2016

InChIKey

2 references

SCHEMBL722708 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol (English)

9 October 2016

1 reference

17-(Cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol (English)

9 October 2016

2 references

SCHEMBL722708 (English)

matched by identifier from

9 October 2016

InChIKey

NETZHAKZCGBWSS-OCKIPSRKSA-N

ChEBI ID

94335

mapping relation type

2 references

(4R,4aS,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol (English)