Difference between revisions of "Digitoxigenin"

Digitoxigenin
IUPAC name	(3β,5β)-3,14-dihydroxycard-20(22)-enolide
Identifiers
InChI	InChI=1/C23H34O4/c1-21-8-5-16( 24)12-15(21)3-4-19-18(21)6-9-2 2(2)17(7-10-23(19,22)26)14-11- 20(25)27-13-14/h11,15-19,24,26 H,3-10,12-13H2,1-2H3/t15-,16+, 17-,18+,19-,21+,22-,23+/m1/s1
InChIKey	XZTUSOXSLKTKJQ-CESUGQOBBG
Standard 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/h11,15-19,24,2 6H,3-10,12-13H2,1-2H3/t15-,16+ ,17-,18+,19-,21+,22-,23+/m1/s1
Standard InChIKey	XZTUSOXSLKTKJQ-CESUGQOBSA-N
CAS number	[143-62-4]
EC number	205-603-4
ChemSpider	3571902
	Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

Revision as of 21:53, 23 August 2009

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 | Section1 = {{Chembox Identifiers
 |   InChI = {{InChIwrap|1/C23H34O4/c1-21-8-5-16( 24)12-15(21)3-4-19-18(21)6-9-2 2(2)17(7-10-23(19,22)26)14-11- 20(25)27-13-14/h11,15-19,24,26 H,3-10,12-13H2,1-2H3/t15-,16+, 17-,18+,19-,21+,22-,23+/m1/s1}}
-|   StdInChI = {{InChIwrap|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/h11,15-19,24,2 6H,3-10,12-13H2,1-2H3/t15-,16+ ,17-,18+,19-,21+,22-,23+/m1/s1
+|   StdInChI = {{InChIwrap|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/h11,15-19,24,2 6H,3-10,12-13H2,1-2H3/t15-,16+ ,17-,18+,19-,21+,22-,23+/m1/s1}}
 |   InChIKey = XZTUSOXSLKTKJQ-CESUGQOBBG
 |   StdInChIKey = XZTUSOXSLKTKJQ-CESUGQOBSA-N