Sodium (3beta,12alpha)-12,17-dihydroxy-18-oxo-18,20-epoxylanost-9(11)-en-3-yl 2-O-(6-deoxy-beta-D-glucopyranosyl)-4-O-sulfonato-beta-D-xylopyranoside
[CAS# 75410-52-5]

Identification

• Name: Sodium (3beta,12alpha)-12,17-dihydroxy-18-oxo-18,20-epoxylanost-9(11)-en-3-yl 2-O-(6-deoxy-beta-D-glucopyranosyl)-4-O-sulfonato-beta-D-xylopyranoside
• Synonyms: echinoside B
• Molecular Formula: C₄₁H₆₅NaO₁₆S
• Molecular Weight: 869.00
• CAS Registry Number: 75410-52-5
• SMILES: [Na+].O=S([O-])(=O)O[C@@H]7CO[C@@H](O[C@H]3CC[C@]2(C)\C4=C\[C@H](O)[C@]51C(=O)O[C@@](C)(CCCC(C)C)[C@@]5(O)CC[C@@]1(C)[C@@H]4CC[C@H]2[C@]3(C)C)[C@H](O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@H]6O)[C@H]7O
• InChI: 1S/C41H66O16S.Na/c1-20(2)10-9-14-39(8)40(48)17-16-38(7)22-11-12-25-36(4,5)27(13-15-37(25,6)23(22)18-26(42)41(38,40)35(47)56-39)54-34-32(29(44)24(19-52-34)57-58(49,50)51)55-33-31(46)30(45)28(43)21(3)53-33;/h18,20-22,24-34,42-46,48H,9-17,19H2,1-8H3,(H,49,50,51);/q;+1/p-1/t21-,22-,24-,25+,26+,27+,28-,29+,30+,31-,32-,33+,34+,37-,38+,39+,40+,41-;/m1./s1
• InChIKey: LECDMYXHQOSNSP-RWRWIFJRSA-M