(Q27131538)

7alpha-CET-P4 (English)

7 October 2016

chemical formula

C₂₄H₃₄O₄S

1 reference

7alpha-CET-P4 (English)

7 October 2016

canonical SMILES

CC(=O)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)SCCC(=O)O)C

1 reference

7alpha-CET-P4 (English)

7 October 2016

isomeric SMILES

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](CC4=CC(=O)CC[C@]34C)SCCC(=O)O)C

1 reference

7alpha-CET-P4 (English)

InChI=1S/C24H34O4S/c1-14(25)17-4-5-18-22-19(7-10-24(17,18)3)23(2)9-6-16(26)12-15(23)13-20(22)29-11-8-21(27)28/h12,17-20,22H,4-11,13H2,1-3H3,(H,27,28)/t17-,18+,19+,20-,22+,23+,24-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

7alpha-CET-P4 (English)

BOJZZBMFGDYFER-WTBIUSKOSA-N

7 October 2016

InChIKey

2 references

7alpha-CET-P4 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

2 references

3-(progesterone-7alpha-yl)thiopropionic acid (English)

BOJZZBMFGDYFER-WTBIUSKOSA-N

7 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=40845-01-0

1 reference

3-{[(7alpha,8xi)-3,20-Dioxopregn-4-en-7-yl]sulfanyl}propanoic acid (English)

7 October 2016

2 references

7alpha-CET-P4 (English)

matched by identifier from

7 October 2016

InChIKey

BOJZZBMFGDYFER-WTBIUSKOSA-N

Reaxys registry number

7357523

1 reference

3-(progesterone-7alpha-yl)thiopropionic acid (English)

7 October 2016

ChEBI ID

62023

mapping relation type

2 references

3-(progesterone-7alpha-yl)thiopropionic acid (English)