Sodium (1R,2S,4R,5R,8R,9S,11R)-2-{[(6-Deoxy-4-O-Methyl-beta-D-Altropyranosyl)Oxy]Methyl}-9-Formyl-13-Isopropyl-5-Methyltetracyclo[7.4.0.0^2,11.0^4,8]Tridec-12-Ene-1-Carboxylate
[CAS# 463356-00-5]

Identification

• Name: Sodium (1R,2S,4R,5R,8R,9S,11R)-2-{[(6-Deoxy-4-O-Methyl-beta-D-Altropyranosyl)Oxy]Methyl}-9-Formyl-13-Isopropyl-5-Methyltetracyclo[7.4.0.0^2,11.0^4,8]Tridec-12-Ene-1-Carboxylate
• Synonyms: Sordarin sodium salt; S1442_SIGMA
• Molecular Formula: C₂₇H₃₉NaO₈
• Molecular Weight: 514.58
• CAS Registry Number: 463356-00-5
• SMILES: [Na+].CC(C)/C3=C/[C@H]2C[C@]4(C=O)[C@@H]5CC[C@@H](C)[C@H]5C[C@@]2(CO[C@@H]1O[C@H](C)[C@@H](OC)[C@@H](O)[C@@H]1O)[C@]34C([O-])=O
• InChI: 1S/C27H40O8.Na/c1-13(2)19-8-16-9-25(11-28)18-7-6-14(3)17(18)10-26(16,27(19,25)24(31)32)12-34-23-21(30)20(29)22(33-5)15(4)35-23;/h8,11,13-18,20-23,29-30H,6-7,9-10,12H2,1-5H3,(H,31,32);/q;+1/p-1/t14-,15-,16+,17-,18-,20+,21+,22-,23-,25+,26+,27+;/m1./s1
• InChIKey: ILUKWKGTAAZHDW-IGICPMPSSA-M

Properties

• Refractive index: (Cal.)