(Q27276700)

Isorubijervine (English)

14 October 2016

chemical formula

C₂₇H₄₃NO₂

1 reference

Isorubijervine (English)

14 October 2016

canonical SMILES

CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)CO)C

1 reference

Isorubijervine (English)

14 October 2016

isomeric SMILES

C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)CO)C

1 reference

Isorubijervine (English)

InChI=1S/C27H43NO2/c1-16-4-7-23-17(2)25-24(28(23)14-16)13-22-20-6-5-18-12-19(30)8-10-26(18,3)21(20)9-11-27(22,25)15-29/h5,16-17,19-25,29-30H,4,6-15H2,1-3H3/t16-,17+,19-,20+,21-,22-,23+,24-,25-,26-,27+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Isorubijervine (English)

14 October 2016

1 reference

Global Substance Registration System

Isorubijervine (English)

14 October 2016

2 references

UNII

E09X2254A7

isorubijervine (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=468-45-1

8 April 2021

1 reference

iso-Rubijervine (English)

14 October 2016

2 references

Isorubijervine (English)

matched by identifier from

14 October 2016

DSSTOX compound identifier

1 reference

0 references

0 references

0 references

820-112-0

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.254.593

27 December 2018

ECHA Substance Infocard ID

(3β)-Solanid-5-ene-3,18-diol (English)

quotation

CAS no.: 468-45-1 (English)

100.254.593

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.254.593

27 December 2018

Global Substance Registration System

(3β)-Solanid-5-ene-3,18-diol (English)

quotation

CAS no.: 468-45-1 (English)

UNII

E09X2254A7

2 references

stated in

UNII

E09X2254A7

isorubijervine (English)

matched by identifier from

14 October 2016