orestrate (Q25091472)

UNII-G9VC23W7W0 (English)

14 October 2016

chemical formula

C₂₇H₃₆O₃

1 reference

UNII-G9VC23W7W0 (English)

14 October 2016

canonical SMILES

CCC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4OC5=CCCCC5)C

1 reference

UNII-G9VC23W7W0 (English)

14 October 2016

isomeric SMILES

CCC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC5=CCCCC5)C

1 reference

UNII-G9VC23W7W0 (English)

InChI=1S/C27H36O3/c1-3-26(28)30-20-10-12-21-18(17-20)9-11-23-22(21)15-16-27(2)24(23)13-14-25(27)29-19-7-5-4-6-8-19/h7,10,12,17,22-25H,3-6,8-9,11,13-16H2,1-2H3/t22-,23-,24+,25+,27+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-G9VC23W7W0 (English)

VYAXJSIVAVEVHF-RYIFMDQWSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-G9VC23W7W0 (English)

14 October 2016

2 references

UNII

G9VC23W7W0

VYAXJSIVAVEVHF-RYIFMDQWSA-N

orestrate (English)

14 October 2016

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=13885-31-9

1 reference

Orestrate (English)

14 October 2016

1 reference

UNII-G9VC23W7W0 (English)

14 October 2016

1 reference

DSSTOX compound identifier

ORESTRATE (English)

14 October 2016

1 reference

inferred from InChIKey

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

G9VC23W7W0

orestrate (English)