| SpectraBase Spectrum ID |
FoUNDD9NlvM |
| Name |
2-((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)pyrimidine |
| Appearance |
Colorless crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H48N2 |
| InChI |
InChI=1S/C31H48N2/c1-21(2)8-6-9-22(3)26-12-13-27-25-11-10-24-20-23(29-32-18-7-19-33-29)14-16-30(24,4)28(25)15-17-31(26,27)5/h7,10,18-19,21-23,25-28H,6,8-9,11-17,20H2,1-5H3/t22-,23+,25+,26-,27+,28+,30+,31-/m1/s1 |
| InChIKey |
NOTPFPFKVMTUSL-SZXZGTCESA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201914490 |
| Molecular Weight |
448.739 g/mol |
| Optical Rotation |
[a]D20 = 1 (c = 0.98, CHCl3) |
| Reported Formula |
C31H48N2 |
| SMILES |
c1nc(ncc1)[C@]1(CC[C@]2(C(C1)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2([C@](C)(CCCC(C)C)[H])[H])[H])C)[H])[H])C)[H] |
| SPLASH |
splash10-052f-9100000000-3f898e8eb4cc27170183 |
| Sample Comments |
dr = 98:2 |
| Source of Spectrum |
ACI-59-SM32-3ai |
| Wiley ID |
1857644 |
![2-((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)pyrimidine](/api/spectrum/FoUNDD9NlvM/structure.png?h=300&w=458 "2-((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)pyrimidine")
