Holothurin B
[CAS# 11052-32-7]

Identification

• Name: Holothurin B
• Synonyms: Lanost-9(11)-En-18-Oic Acid, 3-((2-O-(6-Deoxy-Beta-D-Glucopyranosyl)-4-O-Sulfo-Beta-D-Xylopyranosyl)Oxy)-22,25-Epoxy-12,17,20-Trihydroxy-, Gamma-Lactone, Monosodium Salt, (3-Beta,12-Alpha,22S)-
• Molecular Formula: C₄₁H₆₃NaO₁₇S
• Molecular Weight: 882.99
• CAS Registry Number: 11052-32-7
• SMILES: [C@@]67(O)C1(C(C2C(=C[C@@H]1O)[C@@]5(C(CC2)C([C@@H](O[C@@H]3OC[C@@H](O[S]([O-])(=O)=O)[C@H](O)[C@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C)CC5)(C)C)C)(CC6)C)C(O[C@@]7([C@H]8OC(CC8)(C)C)C)=O.[Na+]
• InChI: 1S/C41H64O17S.Na/c1-19-27(43)29(45)30(46)32(53-19)55-31-28(44)22(58-59(49,50)51)18-52-33(31)54-25-12-14-37(6)21-17-24(42)41-34(47)57-39(8,26-11-13-35(2,3)56-26)40(41,48)16-15-38(41,7)20(21)9-10-23(37)36(25,4)5;/h17,19-20,22-33,42-46,48H,9-16,18H2,1-8H3,(H,49,50,51);/q;+1/p-1/t19-,20?,22-,23?,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,37-,38?,39-,40+,41?;/m1./s1
• InChIKey: XPKZSKANINADOD-ZSNWYRGCSA-M