(4aR,6aR,12aS,12bS)-4a,12a-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione
[CAS# 89020-33-7]

Identification

• Name: (4aR,6aR,12aS,12bS)-4a,12a-Dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-4a,6,6a,12,12a,12b-hexahydro-4H,11H-benzo[f]pyrano[4,3-b]chromene-1,11(5H)-dione
• Synonyms: 4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-4,4,6a,12b-tetramethyl-9-(3,5-dimethoxy-4-hydroxyphenyl)-4H,11H-naphtho(2.1-b)pyrano(3,4-e)pyran-1,11(5H)-dione; 4H,11H-Naphtho(2,1-b)pyrano(3,4-e)pyran-1,11(5H)-dione, 4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-, (4aR-(4aα,6aβ,12aα,12bβ))-; 4H,11H-Naphtho(2,1-b)pyrano(3,4-e)pyran-1,11(5H)-dione, 4a,6,6a,12,12a,12b-hexahydro-4a,12a-dihydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-4,4,6a,12b-tetramethyl-, (4aR-(4a-α,6a-β,12a-α,12b-β))-
• Molecular Formula: C₂₈H₃₂O₉
• Molecular Weight: 512.55
• CAS Registry Number: 89020-33-7
• SMILES: O=C5O/C(c1cc(OC)c(O)c(OC)c1)=C\C=4O[C@@]3(CC[C@]2(O)[C@](C(=O)\C=C/C2(C)C)([C@@]3(O)CC=45)C)C
• InChI: 1S/C28H32O9/c1-24(2)8-7-21(29)26(4)27(24,32)10-9-25(3)28(26,33)14-16-18(37-25)13-17(36-23(16)31)15-11-19(34-5)22(30)20(12-15)35-6/h7-8,11-13,30,32-33H,9-10,14H2,1-6H3/t25-,26+,27-,28-/m1/s1
• InChIKey: FTTNXWIFPFEOQT-JUDWXZBOSA-N

Properties

• Density: 1.411g/cm³ (Cal.)
• Boiling point: 713.793°C at 760 mmHg (Cal.)
• Flash point: 236.874°C (Cal.)