InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21-/m1/s1

【InChIKey】

InChIKey=QAAQQTDJEXMIMF-NFJVIFTASA-N

【SMILES】

C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C)O

【MOL File】

5-PREGNEN-3BETA,20BE….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:2

H bond acceptor:2

XLogP3:4.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

5-PREGNEN-3BETA,20BETA-DIOL.cml

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1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】