1165-38-4
2,3-SECO-5A-ANDROSTANE-17-ONE-2,3-DIOIC ACID
Name
2,3-SECO-5A-ANDROSTANE-17-ONE-2,3-DIOIC ACID
Formula
C19 H28 O5
MolWeight
336.425
1Identification
【Name】
2,3-SECO-5A-ANDROSTANE-17-ONE-2,3-DIOIC ACID
【CAS】
【MDL】
MFCD10566709
【English Synonyms】
【Formula】
C19 H28 O5
【MolWeight】
336.425
【Inchi】
InChI=1S/C19H28O5/c1-18-8-7-14-12(13(18)5-6-15(18)20)4-3-11(9-16(21)22)19(14,2)10-17(23)24/h11-14H,3-10H2,1-2H3,(H,21,22)(H,23,24)/t11-,12-,13-,14-,18-,19-/m0/s1
【InChIKey】
InChIKey=CEUQHWSIXGFNGI-GHJQBBOJSA-N
【SMILES】
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC[C@H]([C@]3(C)CC(=O)O)CC(=O)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
2,3-SECO-5A-ANDROSTANE-17-ONE-2,3-DIOIC ACID.cml
Quick Release
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MAPROTILINE
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