91523-05-6
1,4-PREGNADIEN-6ALPHA-METHYL-17,21-DIOL-3,11,20-TRIONE
Name
1,4-PREGNADIEN-6ALPHA-METHYL-17,21-DIOL-3,11,20-TRIONE
Formula
C22 H28 O5
MolWeight
372.458
1Identification
【Name】
1,4-PREGNADIEN-6ALPHA-METHYL-17,21-DIOL-3,11,20-TRIONE
【CAS】
【MDL】
MFCD00200233
【English Synonyms】
【Formula】
C22 H28 O5
【MolWeight】
372.458
【Inchi】
InChI=1S/C22H28O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,19,23,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,19+,20-,21-,22-/m0/s1
【InChIKey】
InChIKey=SVYCRJXQZUCUND-PQXSVQADSA-N
【SMILES】
C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC(=O)[C@@H]2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)CO)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,4-PREGNADIEN-6ALPHA-METHYL-17,21-DIOL-3,11,20-TRIONE.cml
Quick Release
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Catalog No:85076 5G
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Advanced Technology & Industrial Co., Ltd.
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Business Type:Trading Company
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