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Substance Name: Anthroylouabain
RN: 62026-02-2
InChIKey: CSNRMZGUGASWCS-ZNXNOWCASA-N

Molecular Weight

  • 788.882
 
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Names and Synonyms

Name of Substance

  • Anthroylouabain

Systematic Name

  • Card-20(22)-enolide, 3-((3-O-(9-anthracenylcarbonyl)-6-deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,11alpha)-

Registry Numbers

CAS Registry Number

  • 62026-02-2

System Generated Number

  • 0062026022

Structure Descriptors

InChI

1S/C44H52O13/c1-22-36(49)38(57-39(51)34-27-9-5-3-7-23(27)15-24-8-4-6-10-28(24)34)37(50)40(55-22)56-26-17-32(47)43(21-45)35-30(11-13-42(43,52)18-26)44(53)14-12-29(25-16-33(48)54-20-25)41(44,2)19-31(35)46/h3-10,15-16,22,26,29-32,35-38,40,45-47,49-50,52-53H,11-14,17-21H2,1-2H3/t22-,26-,29+,30+,31+,32+,35+,36-,37+,38+,40-,41+,42-,43+,44?/m0/s1

InChIKey

CSNRMZGUGASWCS-ZNXNOWCASA-N

Smiles

C1[C@@H](C[C@@]2(CC[C@H]3[C@@]4(CC[C@@H](C=5COC(=O)C5)[C@@]4(C)C[C@H]([C@H]3[C@@]2([C@@H]1O)CO)O)O)O)O[C@H]1[C@H](O)[C@H](OC(=O)c2c3ccccc3cc3ccccc23)[C@@H](O)[C@@H](O1)C