InChI=1S/C21H30O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16-,17-,18+,19-,20-,21-/m0/s1

【InChIKey】

InChIKey=LCZBQMKVFQNSJR-UJPCIWJBSA-N

【SMILES】

CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O

【MOL File】

11BETA,17ALPHA-DIHYD….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:4

XLogP3:1.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

11BETA,17ALPHA-DIHYDROXY-4-PREGNENE-3,20-DIONE.cml

Quick Release

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641-77-0 11BETA,17ALPHA-DIHYDROXY-4-PREGNENE-3,20-DIONE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】