roxolonium (Q27258780)

Roxolonium (English)

14 October 2016

C₃₇H₆₀NO₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)OCC6CCC[N+]6(C)C)C)C)C)C

1 reference

Roxolonium (English)

14 October 2016

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)OCC6CCC[N+]6(C)C

1 reference

InChI=1S/C37H60NO4/c1-32(2)28-12-15-37(7)30(35(28,5)14-13-29(32)40)27(39)21-25-26-22-34(4,17-16-33(26,3)18-19-36(25,37)6)31(41)42-23-24-11-10-20-38(24,8)9/h21,24,26,28-30,40H,10-20,22-23H2,1-9H3/q+1/t24?,26-,28-,29-,30+,33+,34-,35-,36+,37+/m0/s1

Roxolonium (English)

retrieved

14 October 2016

Identifiers

InChI

1 reference

SMSOHXZTTQRSQA-QAJMKSIDSA-N

Roxolonium (English)

14 October 2016

1 reference

Global Substance Registration System

Roxolonium (English)

14 October 2016

1 reference

UNII

45055Y1X5K

roxolonium (English)

14 October 2016

1 reference

(1,1-Dimethyl-2-pyrrolidiniumyl)methyl (3beta)-3-hydroxy-11-oxoolean-12-en-30-oate (English)

14 October 2016

2 references

matched by identifier from

Roxolonium (English)

retrieved

14 October 2016

InChIKey

SMSOHXZTTQRSQA-QAJMKSIDSA-N

1 reference

Global Substance Registration System

ROXOLONIUM (English)

14 October 2016

1 reference

2 references

UNII

45055Y1X5K