pentagestrone (Q24883082)

Pentagestrone (English)

18 November 2016

chemical formula

C₂₆H₃₈O₃

1 reference

Pentagestrone (English)

18 November 2016

canonical SMILES

CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(=C4)OC5CCCC5)C)C)O

1 reference

Pentagestrone (English)

18 November 2016

isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)OC5CCCC5)C)C)O

1 reference

Pentagestrone (English)

InChI=1S/C26H38O3/c1-17(27)26(28)15-12-23-21-9-8-18-16-20(29-19-6-4-5-7-19)10-13-24(18,2)22(21)11-14-25(23,26)3/h8,16,19,21-23,28H,4-7,9-15H2,1-3H3/t21-,22+,23+,24+,25+,26+/m1/s1

18 November 2016

Commons category

Pentagestrone

0 references

Identifiers

InChI

1 reference

Pentagestrone (English)

18 November 2016

2 references

Pentagestrone (English)

Global Substance Registration System

18 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

7001-56-1

2 references

stated in

UNII

L34YL185WL

pentagestrone (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=7001-56-1

10 April 2021

1 reference

Pentagestrone (English)

18 November 2016

2 references

Pentagestrone (English)

18 November 2016

ChEBI ID

135634

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C26H38O3/c1-17(27)26(28)15-12-23-21-9-8-18-16-20(29-19-6-4-5-7-19)10-13-24(18,2)22(21)11-14-25(23,26)3/h8,16,19,21-23,28H,4-7,9-15H2,1-3H3/t21-,22+,23+,24+,25+,26+/m1/s1

1 reference

PENTAGESTRONE (English)

18 November 2016

2 references

inferred from InChIKey

Global Substance Registration System

1 reference

2 references

UNII

L34YL185WL

pentagestrone (English)

18 November 2016