InChI=1S/C21H28O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15,18,22,24,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,18+,19-,20-,21-/m0/s1

【InChIKey】

InChIKey=BCHHPSBWEQCAPG-WTCKOWDJSA-N

【SMILES】

C[C@]12CCC(=O)C=C1[C@@H](C[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O

【MOL File】

4-PREGNEN-6-BETA,17,….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:3

H bond acceptor:6

XLogP3:0.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

4-PREGNEN-6-BETA,17,21-TRIOL-3,11,20-TRIONE.cml

Quick Release

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16355-28-5 4-PREGNEN-6-BETA,17,21-TRIOL-3,11,20-TRIONE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】