565-92-4
5BETA-PREGNAN-3ALPHA,11BETA-DIOL-20-ONE
Name
5BETA-PREGNAN-3ALPHA,11BETA-DIOL-20-ONE
Formula
C21 H34 O3
MolWeight
334.497
1Identification
【Name】
5BETA-PREGNAN-3ALPHA,11BETA-DIOL-20-ONE
【CAS】
【MDL】
MFCD00056508
【English Synonyms】
【Formula】
C21 H34 O3
【MolWeight】
334.497
【Inchi】
InChI=1S/C21H34O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,18+,19-,20+,21-/m1/s1
【InChIKey】
InChIKey=NFVCQZNBRFPYOP-SVCXGJEXSA-N
【SMILES】
CC(=O)[C@H]1CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5BETA-PREGNAN-3ALPHA,11BETA-DIOL-20-ONE.cml
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