(Q27106957)

ISOAJMALINE (English)

5 October 2016

chemical formula

C₂₀H₂₆N₂O₂

1 reference

ISOAJMALINE (English)

5 October 2016

canonical SMILES

CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C

1 reference

ISOAJMALINE (English)

5 October 2016

isomeric SMILES

CC[C@@H]1[C@@H]2C[C@H]3[C@H]4[C@@]5(C[C@@H](C2[C@H]5O)N3[C@H]1O)C6=CC=CC=C6N4C

1 reference

ISOAJMALINE (English)

InChI=1S/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3/t10-,11+,14+,15+,16?,17+,18-,19+,20-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

ISOAJMALINE (English)

CJDRUOGAGYHKKD-JZQIZOIBSA-N

5 October 2016

InChIKey

2 references

ISOAJMALINE (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Isoajmaline (English)

5 October 2016

1 reference

(17R,20alpha,21beta)-Ajmalan-17,21-diol (English)

5 October 2016

1 reference

ISOAJMALINE (English)

5 October 2016

ChEBI ID

5979

mapping relation type

1 reference

ECHA Substance Infocard database

Isoajmaline (English)

5 October 2016

1 reference

0 references

808-274-0

1 reference

stated in

ECHA Substance Infocard ID

100.236.226

27 December 2018

ECHA Substance Infocard ID

isoajmaline (English)

quotation

CAS no.: 6989-79-3 (English)

100.236.226

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.236.226

27 December 2018

isoajmaline (English)

quotation

CAS no.: 6989-79-3 (English)

1 reference

Isoajmaline (English)

5 October 2016

1 reference

Isoajmaline (English)