InChI=1S/C23H34O8/c1-20-9-16(26)19-15(23(20,30)5-3-14(20)12-6-18(28)31-10-12)2-4-21(29)8-13(25)7-17(27)22(19,21)11-24/h6,13-17,19,24-27,29-30H,2-5,7-11H2,1H3/t13-,14+,15+,16+,17+,19+,20+,21-,22+,23-/m0/s1

【InChIKey】

InChIKey=BXSABLKMKAINIU-QOHCMMFCSA-N

【SMILES】

C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3([C@@H](C[C@@H](C5)O)O)CO)O)O

【MOL File】

OUABAGENIN.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:6

H bond acceptor:8

XLogP3:-1.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

OUABAGENIN.cml

Quick Release

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508-52-1 OUABAGENIN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】