5630-53-5
TIBOLONE
Name
TIBOLONE
Formula
C21 H28 O2
MolWeight
312.45
1Identification
【Name】
TIBOLONE
【CAS】
【MDL】
MFCD00864178
【English Synonyms】
【Formula】
C21 H28 O2
【MolWeight】
312.45
【Inchi】
InChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1
【InChIKey】
InChIKey=WZDGZWOAQTVYBX-XOINTXKNSA-N
【SMILES】
C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TIBOLONE.cml
Quick Release
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