6170-08-7
5ALPHA-PREGNAN-3BETA,20ALPHA-DIOL DIACETATE
Name5ALPHA-PREGNAN-3BETA,20ALPHA-DIOL DIACETATE
1Identification
【Name】
5ALPHA-PREGNAN-3BETA,20ALPHA-DIOL DIACETATE
【CAS】
【MDL】
MFCD00076104
【English Synonyms】
【Formula】
C25 H40 O4
【MolWeight】
404.587
【Inchi】
InChI=1S/C25H40O4/c1-15(28-16(2)26)21-8-9-22-20-7-6-18-14-19(29-17(3)27)10-12-24(18,4)23(20)11-13-25(21,22)5/h15,18-23H,6-14H2,1-5H3/t15-,18+,19+,20+,21-,22+,23+,24+,25-/m1/s1
【InChIKey】
InChIKey=VDZDKQBSTYNFGG-ILKYCFRXSA-N
【SMILES】
C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)OC(=O)C
【MOL File】
5ALPHA-PREGNAN-3BETA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5ALPHA-PREGNAN-3BETA,20ALPHA-DIOL DIACETATE.cml