7091-05-6
9B,11B-EPOXY-17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Name
9B,11B-EPOXY-17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
Formula
C21 H26 O5
MolWeight
358.431
1Identification
【Name】
9B,11B-EPOXY-17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
【CAS】
【MDL】
MFCD09751155
【English Synonyms】
【Formula】
C21 H26 O5
【MolWeight】
358.431
【Inchi】
InChI=1S/C21H26O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h5,7,9,14-15,17,22,25H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17-,18-,19-,20-,21+/m0/s1
【InChIKey】
InChIKey=WQMGIEOKPKMWEY-FEUSSREZSA-N
【SMILES】
C[C@]12C[C@H]3[C@]4(O3)[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC5=CC(=O)C=C[C@]45C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
9B,11B-EPOXY-17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE.cml
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