Digitoxigenin

Digitoxigenin^[1]
Names

Other names 3-β,14-dihydroxy-5-β,14-β-card-20(22)-enolide 5β-Card-20(22)-enolide, 3β,14-dihydroxy- Card-20(22)-enolide, 3,14-dihydroxy-, (3β,5β)- NSC 407806 Δ20:22-3,14,21-Trihydroxynorcholenic acid lactone cerberigenin echujetin evonogenin thevetigenin
Identifiers
CAS Number	143-62-4
Beilstein Reference	95448
ChEMBL	ChEMBL1453
ChemSpider	3571902
EC Number	205-603-4
Jmol interactive 3D	Image
PubChem	4369270
RTECS number	FH4975000
InChI InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1 Key: XZTUSOXSLKTKJQ-CESUGQOBSA-N InChI=1/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1 Key: XZTUSOXSLKTKJQ-CESUGQOBBG
SMILES O=C/1OCC(=C\1)\[C@@H]2[C@@]4([C@](O)(CC2)[C@@H]5CC[C@@H]3C[C@@H](O)CC[C@]3(C)[C@H]5CC4)C
Properties
Chemical formula	C₂₃H₃₄O₄
Molar mass	374.51
Appearance	solid
Melting point	252 to 253 °C (486 to 487 °F; 525 to 526 K)
Hazards
Main hazards	Toxic
R-phrases	Toxic if swallowed
S-phrases	In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references

Digitoxigenin is cardenolide, obtained especially by hydrolysis of digitoxin^[2] (refluxing digitoxin in a mixture of water, alcohol, and hydrochloric acid^[3]), which is the aglycon of digitoxin.^[4]

References

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