Lanatoside B
CAS Registry Number®
CAS Name
Lanatoside BMolecular Formula
C49H76O20Molecular Mass
985.12Cite this Page
Lanatoside B. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=17575-21-2 (retrieved ) (CAS RN: 17575-21-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
241-244 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C49H76O20/c1-21-43(67-37-16-31(53)44(22(2)62-37)68-38-17-33(64-24(4)51)45(23(3)63-38)69-46-42(58)41(57)40(56)34(19-50)66-46)30(52)15-36(61-21)65-27-9-11-47(5)26(14-27)7-8-29-28(47)10-12-48(6)39(25-13-35(55)60-20-25)32(54)18-49(29,48)59/h13,21-23,26-34,36-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28+,29-,30+,31+,32+,33+,34-,36+,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48-,49+/m1/s1
InChIKey
InChIKey=XVAPNQFQPDAROQ-CAPSWCROSA-N
SMILES
O[C@@]12[C@@](C)([C@H]([C@@H](O)C1)C=3COC(=O)C3)CC[C@]4([C@]2(CC[C@]5([C@]4(C)CC[C@H](O[C@H]6C[C@H](O)[C@H](O[C@H]7C[C@H](O)[C@H](O[C@H]8C[C@H](OC(C)=O)[C@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@@H](C)O8)[C@@H](C)O7)[C@@H](C)O6)C5)[H])[H])[H]
Canonical SMILES
O=C1OCC(=C1)C2C(O)CC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC(=O)C)C8)C(O)C7)C(O)C6)CCC5(C)C4CCC23C
Other Names for this Substance
- Card-20(22)-enolide, 3-[(O-β-D-glucopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxy-, (3β,5β,16β)-
- Lanatoside B
- 5β-Card-20(22)-enolide, 3β-[[O-[O-(O-glucosyldigitoxosyl)digitoxosyl]digitoxosyl]oxy]-14,16β-dihydroxy-, acetate
- (3β,5β,16β)-3-[(O-β-D-Glucopyranosyl-(1→4)-O-3-O-acetyl-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
- Digilanide B
Deleted or Replaced CAS Registry Numbers
1289-63-0, 11014-60-1
