Herpetone

CAS	951677-22-8
Synonyms	2-[5-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxy-3-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)ethanone
IUPAC Name	2-[5-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-hydroxy-3-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)ethanone
Molecular Weight	522.54
Molecular Formula	C29H30O9
Canonical SMILES	COC1=CC(=CC(=C1O)CC(=O)C2=CC(=C(C=C2)O)OC)C3C4COC(C4CO3)C5=CC(=C(C=C5)O)OC
InChI	InChI=1S/C29H30O9/c1-34-24-10-15(4-6-21(24)30)23(32)9-17-8-18(12-26(36-3)27(17)33)29-20-14-37-28(19(20)13-38-29)16-5-7-22(31)25(11-16)35-2/h4-8,10-12,19-20,28-31,33H,9,13-14H2,1-3H3/t19-,20-,28+,29+/m0/s1
InChI Key	NKRVXSJMQLQTTM-UGOBFYTOSA-N
Boiling Point	748.0±60.0 °C
Purity	98%
Density	1.329±0.06 g/ml
pKa	7.96±0.20
Appearance	Powder