Metabolites-BOC Sciences

Actinotetraose Hexatiglate

Actinotetraose Hexatiglate - CAS 216590-44-2

Catalog number: BBF-04592

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Catalog Number BBF-04592
CAS 216590-44-2
Description A unique tetrasaccharide with six tiglate esters isolated from an unidentified amycolatopsis culture. It is a potent antitumour agent.
Molecular Formula C54H78O27
Molecular Weight 1159.18
Antibiotic Activity Spectrum Neoplastics (Tumor)
Synonyms Tigloside; 2-[(2E)-2-Methyl-2-butenoate]-O-3,4-bis-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-β-D-glucopyranosyl-(1→2)-6-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-α-D-glucopyranosyl O-3,4-bis-O-[(2E)-2-methyl-1-oxo-2-buten-1-yl]-β-D-glucopyranosyl-(1→2)-α-D-Glucopyranoside; 2-O-[3,4-bis-O-[(2E)-2-methyl-1-oxo-2-butenyl]-β-D-glucopyranosyl]-6-O-[(2E)-2-methyl-1-oxo-2-butenyl]-α-D-glucopyranosyl 2-O-[3,4-bis-O-[(2E)-2-Methyl-1-oxo-2-butenyl]-β-D-glucopyranosyl]-α-D-Glucopyranoside 6-[(2E)-2-Methyl-2-butenoate]
IUPAC Name [(2R,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxy-6-[[(E)-2-methylbut-2-enoyl]oxymethyl]oxan-2-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6R)-3-hydroxy-6-(hydroxymethyl)-4,5-bis[[(E)-2-methylbut-2-enoyl]oxy]oxan-2-yl]oxyoxan-2-yl]methyl (E)-2-methylbut-2-enoate
Canonical SMILES CC=C(C)C(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)C(=CC)C)O)O)OC3C(C(C(C(O3)CO)OC(=O)C(=CC)C)OC(=O)C(=CC)C)O)OC4C(C(C(C(O4)CO)OC(=O)C(=CC)C)OC(=O)C(=CC)C)O)O)O
InChI InChI=1S/C54H78O27/c1-13-23(7)45(63)69-21-31-33(57)35(59)43(79-51-37(61)41(77-49(67)27(11)17-5)39(29(19-55)71-51)75-47(65)25(9)15-3)53(73-31)81-54-44(36(60)34(58)32(74-54)22-70-46(64)24(8)14-2)80-52-38(62)42(78-50(68)28(12)18-6)40(30(20-56)72-52)76-48(66)26(10)16-4/h13-18,29-44,51-62H,19-22H2,1-12H3/b23-13+,24-14+,25-15+,26-16+,27-17+,28-18+/t29-,30-,31-,32-,33-,34-,35+,36+,37-,38-,39-,40-,41-,42-,43-,44-,51+,52+,53-,54-/m1/s1
InChI Key BHAUYHDLIURVPC-ZNKXWPPQSA-N
Boiling Point 1118.0±65.0°C at 760 mmHg
Purity >95% by HPLC
Density 1.4±0.1 g/cm3
Solubility Soluble in Ethanol, Methanol, DMF, DMSO
Appearance White Powder
Storage Store at -20°C
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