Syringotoxin B
[CAS# 65547-14-0]

Identification

• Name: Syringotoxin B
• Synonyms: 2-[(9Z)-24-(2-Aminoethyl)-15-(3-Aminopropyl)-3-(2-Chloro-1-Hydroxy-Ethyl)-9-Ethylidene-12-(1-Hydroxyethyl)-18-(2-Hydroxyethyl)-27-(3-Hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-Nonaoxo-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-6-Yl]-2-Hydroxy-Acetic Acid; 2-[(9Z)-24-(2-Aminoethyl)-15-(3-Aminopropyl)-3-(2-Chloro-1-Hydroxyethyl)-9-Ethylidene-12-(1-Hydroxyethyl)-18-(2-Hydroxyethyl)-27-[(3-Hydroxy-1-Oxotetradecyl)Amino]-2,5,8,11,14,17,20,23,26-Nonaoxo-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-6-Yl]-2-Hydroxyacetic Acid; 2-[(9Z)-24-(2-Aminoethyl)-15-(3-Aminopropyl)-3-(2-Chloro-1-Hydroxy-Ethyl)-9-Ethylidene-12-(1-Hydroxyethyl)-18-(2-Hydroxyethyl)-27-(3-Hydroxytetradecanoylamino)-2,5,8,11,14,17,20,23,26-Nonaketo-1-Oxa-4,7,10,13,16,19,22,25-Octazacyclooctacos-6-Yl]-2-Hydroxy-Acetic Acid
• Molecular Formula: C₄₈H₈₂ClN₁₁O₁₈
• Molecular Weight: 1136.69
• CAS Registry Number: 65547-14-0
• SMILES: C(C(C1NC(C(C(O)C(=O)O)NC(\C(NC(C(C(O)C)NC(C(NC(C(NC(CNC(C(NC(C(COC1=O)NC(=O)CC(O)CCCCCCCCCCC)=O)CCN)=O)=O)CCO)=O)CCCN)=O)=O)=C\C)=O)=O)O)Cl
• InChI: 1S/C48H82ClN11O18/c1-4-6-7-8-9-10-11-12-13-15-27(63)22-34(65)54-32-25-78-48(77)37(33(64)23-49)59-46(74)38(39(67)47(75)76)60-41(69)28(5-2)55-45(73)36(26(3)62)58-43(71)29(16-14-19-50)56-42(70)31(18-21-61)53-35(66)24-52-40(68)30(17-20-51)57-44(32)72/h5,26-27,29-33,36-39,61-64,67H,4,6-25,50-51H2,1-3H3,(H,52,68)(H,53,66)(H,54,65)(H,55,73)(H,56,70)(H,57,72)(H,58,71)(H,59,74)(H,60,69)(H,75,76)/b28-5-
• InChIKey: GFIQMTUSPKSFSY-XNUQMYNASA-N

Properties

• Density: 1.378g/cm³ (Cal.)
• Boiling point: 1596.319°C at 760 mmHg (Cal.)
• Flash point: 919.22°C (Cal.)