(1alpha,4alpha,4aalpha,5beta,7alpha,7abeta,9(R*),11aR*)-2,3,4,4a,5,6,7,7a,10,11-Decahydro-9-(2-Hydroxy-1-Methylethyl)-8-(1H-Indol-3-Yl)-4,4a,7-Trimethyl-1H-Benzo(d)Naphthalene-1,5-Diol
[CAS# 76410-56-5]

Identification

• Name: (1alpha,4alpha,4aalpha,5beta,7alpha,7abeta,9(R*),11aR*)-2,3,4,4a,5,6,7,7a,10,11-Decahydro-9-(2-Hydroxy-1-Methylethyl)-8-(1H-Indol-3-Yl)-4,4a,7-Trimethyl-1H-Benzo(d)Naphthalene-1,5-Diol
• Molecular Formula: C₂₈H₃₉NO₃
• Molecular Weight: 437.62
• CAS Registry Number: 76410-56-5
• SMILES: [C@H]23C1([C@@]([C@H](C)CC[C@@H]1O)(C)[C@@H](C[C@H]2C)O)CCC(=C3C4=C[NH]C5=CC=CC=C45)[C@@H](CO)C
• InChI: 1S/C28H39NO3/c1-16-13-24(32)27(4)18(3)9-10-23(31)28(27)12-11-19(17(2)15-30)25(26(16)28)21-14-29-22-8-6-5-7-20(21)22/h5-8,14,16-18,23-24,26,29-32H,9-13,15H2,1-4H3/t16-,17-,18-,23+,24-,26+,27-,28?/m1/s1
• InChIKey: ZMEZVDUXYBOYTB-KNFQJDNVSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 634.915°C at 760 mmHg (Cal.)
• Flash point: 337.785°C (Cal.)