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Details

Stereochemistry ABSOLUTE
Molecular Formula C28H42O4
Molecular Weight 442.6307
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYPROGESTERONE HEPTANOATE

SMILES

[H][C@@]12CC[C@](OC(=O)CCCCCC)(C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])CCC4=CC(=O)CC[C@]34C

InChI

InChIKey=NKJYZYWCGKSMSV-BDPSOKNUSA-N
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

HIDE SMILES / InChI

Molecular Formula C28H42O4
Molecular Weight 442.6307
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
HGN17RX8K8
Record Status Validated (UNII)
Record Version