CAS Registry Number®
4596-16-1
CAS Name
17-[(1-Oxoheptyl)oxy]pregn-4-ene-3,20-dione
Molecular Formula
C28H42O4
Molecular Mass
442.63
Compound Properties
-
Melting Point (1)
113-114 °C
Source(s)
- (1) Batres, E.; Journal of Organic Chemistry, (1956), 21, 240-1, CAplus
Other Names and Identifiers
InChI
InChI=1S/C28H42O4/c1-5-6-7-8-9-25(31)32-28(19(2)29)17-14-24-22-11-10-20-18-21(30)12-15-26(20,3)23(22)13-16-27(24,28)4/h18,22-24H,5-17H2,1-4H3/t22-,23+,24+,26+,27+,28+/m1/s1
InChIKey
InChIKey=NKJYZYWCGKSMSV-BDPSOKNUSA-N
SMILES
O(C(CCCCCC)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])[H]
Canonical SMILES
O=C(OC1(C(=O)C)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C)CCCCCC
Other Names for this Substance
- Pregn-4-ene-3,20-dione, 17-[(1-oxoheptyl)oxy]-
- Pregn-4-ene-3,20-dione, 17-hydroxy-, heptanoate
- Progesterone, 17-hydroxy-, heptanoate
- Heptanoic acid, ester with 17-hydroxypregn-4-ene-3,20-dione
- 17-[(1-Oxoheptyl)oxy]pregn-4-ene-3,20-dione
- 17α-Heptyloylpregn-4-ene-3,20-dione
- 17α-Hydroxyprogesterone heptanoate
Deleted or Replaced CAS Registry Numbers
1079269-78-5
