InChI=1S/C23H33NO4/c1-14(25)18-6-7-19-17-5-4-15-12-16(24-28-13-21(26)27)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,17-20H,4-11,13H2,1-3H3,(H,26,27)/b24-16-/t17-,18+,19-,20-,22-,23+/m0/s1

【InChIKey】

InChIKey=PPELYUTTZHLIAZ-HZZOJEDPSA-N

【SMILES】

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C/C(=N\OCC(=O)O)/CC[C@]34C)C

【MOL File】

PROGESTERONE 3-(O-CA….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:1

H bond acceptor:5

XLogP3:3.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【Safety informationSymbol】

GHS08

【hazard symbol】

【Risk Code】

【Safe Code】

22-36

【WGK Germany】

4CML File

PROGESTERONE 3-(O-CARBOXYMETHYL)OXIME.cml

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50909-89-2 PROGESTERONE 3-(O-CARBOXYMETHYL)OXIME

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】