phthalic acid tetrahydroabietyl alcohol diester (Q27278688)

UNII-G39A62TNH7 (English)

14 October 2016

chemical formula

C₄₈H₇₄O₄

1 reference

UNII-G39A62TNH7 (English)

14 October 2016

canonical SMILES

CC(C)C1CCC2C(C1)CCC3C2(CCCC3(C)COC(=O)C4=CC=CC=C4C(=O)OCC5(CCCC6(C5CCC7C6CCC(C7)C(C)C)C)C)C

1 reference

UNII-G39A62TNH7 (English)

14 October 2016

isomeric SMILES

CC(C)C1CC[C@H]2C(C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)COC(=O)C4=CC=CC=C4C(=O)OC[C@@]5(CCC[C@]6([C@H]5CCC7[C@@H]6CCC(C7)C(C)C)C)C)C

1 reference

UNII-G39A62TNH7 (English)

InChI=1S/C48H74O4/c1-31(2)33-15-19-39-35(27-33)17-21-41-45(5,23-11-25-47(39,41)7)29-51-43(49)37-13-9-10-14-38(37)44(50)52-30-46(6)24-12-26-48(8)40-20-16-34(32(3)4)28-36(40)18-22-42(46)48/h9-10,13-14,31-36,39-42H,11-12,15-30H2,1-8H3/t33?,34?,35?,36?,39-,40-,41-,42-,45-,46-,47+,48+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-G39A62TNH7 (English)

VLSXLXWSXZUGFV-VAFYREIDSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-G39A62TNH7 (English)

14 October 2016

1 reference

phthalic acid tetrahydroabietyl alcohol diester (English)

14 October 2016

1 reference

Di-(8xi,13xi)-abietan-18-yl phthalate (English)

14 October 2016

2 references

UNII-G39A62TNH7 (English)

matched by identifier from

14 October 2016

InChIKey

VLSXLXWSXZUGFV-VAFYREIDSA-N

1 reference

0 references

DSSTOX compound identifier

DTXCID20814181

0 references

EC number

253-008-3

1 reference

stated in

Global Substance Registration System

phthalic acid tetrahydroabietyl alcohol diester (English)

ECHA Substance Infocard ID

14 October 2016

100.048.174

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.048.174

27 December 2018

Bis[[1,4a-dimethyl-7-(1-methylethyl)tetradecahydrophenanthryl]methyl] phthalate (English)

quotation

CAS no.: 36388-36-0 (English)

Global Substance Registration System

2 references

stated in

phthalic acid tetrahydroabietyl alcohol diester (English)