SpectraBase Spectrum ID |
ADLOtDI4fQ9 |
Name |
(3R,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-[(1R)-5-methyl-1-methylol-hexyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[A]phenanthren-3-ol |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
402.349780719 u |
Formula |
C27H46O2 |
InChI |
InChI=1S/C27H46O2/c1-18(2)6-5-7-19(17-28)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t19-,21+,22-,23+,24-,25-,26-,27+/m0/s1 |
InChIKey |
OJUSVVMRDIXPCC-QGCYDVEPSA-N |
Molecular Weight |
402.663 g/mol |
SMILES |
[C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@@](O)(C4)[H])C)[H])(CC[C@@]1([C@](CO)(CCCC(C)C)[H])[H])[H])C |