Tracheloside

CAS	33464-71-0
Structure
Synonyms	2-Hydroxyarctiin
IUPAC Name	(3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-2-one
Molecular Weight	550.55
Molecular Formula	C27H34O12
Canonical SMILES	COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@]2(CC3=CC(=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)O)OC
InChI	InChI=1S/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-25,28-31,33H,8,11-13H2,1-3H3/t16-,21+,22+,23-,24+,25+,27-/m0/s1
InChI Key	LWYAMIUSVGPFKS-CGLYQLBNSA-N
Boiling Point	769.8±60.0 °C
Melting Point	167-170 °C
Flash Point	254 °C
Purity	98%
Density	1.421 g/ml
Appearance	Powder