101692-02-8

Name (1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-1-[(3S)-3-hydroxyoctyl]-1H-benz[f]indene-2,5-diol
CAS 101692-02-8
Molecular Formula C21H32O3
MDL Number MFCD30478439
Molecular Weight 332.48
MOL File 101692-02-8.mol
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Chemical Properties

Melting point  113-115 °C
Boiling point  506.1±50.0 °C(Predicted)
density  1.106±0.06 g/cm3(Predicted)
pka 10.34±0.60(Predicted)
InChI InChI=1S/C21H32O3/c1-2-3-4-7-16(22)9-10-17-18-11-14-6-5-8-20(23)19(14)12-15(18)13-21(17)24/h5-6,8,15-18,21-24H,2-4,7,9-13H2,1H3/t15-,16-,17+,18-,21+/m0/s1
InChIKey UTGPMEMKMRVGNE-HUTLKBDOSA-N
SMILES [C@@H]1(CC[C@@H](O)CCCCC)[C@]2([H])[C@@]([H])(CC3=C(O)C=CC=C3C2)C[C@H]1O

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