| SpectraBase Spectrum ID |
2XdZtkyx795 |
| Name |
(3S,5S,8R,9S,10S,13S,14S,17R)-17-azido-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Appearance |
White solid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.246712629 u |
| Formula |
C19H31N3O |
| InChI |
InChI=1S/C19H31N3O/c1-18-9-7-13(23)11-12(18)3-4-14-15-5-6-17(21-22-20)19(15,2)10-8-16(14)18/h12-17,23H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1 |
| InChIKey |
QCDRTITWRLVLFH-MFXFBURESA-N |
| Instrument Name |
Agilent 5977A GC |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202203425 |
| Molecular Weight |
317.477 g/mol |
| Optical Rotation |
[a]D29 = -39.6 (c = 1.0, CHCl3) |
| Quality |
162 |
| SMILES |
O[C@]1(CC[C@]2([C@](C1)(CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@]2(N=[N+]=[N-])[H])[H])C)[H])[H])[H])C)[H] |
| SPLASH |
splash10-05g0-3190000000-0b72bf70d660af6b3629 |
| Source of Spectrum |
QE-29-SM79-25b (DOI: 10.1002/chem.202203425) |
| Wiley ID |
1911394 |
![(3S,5S,8R,9S,10S,13S,14S,17R)-17-azido-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol](/api/spectrum/2XdZtkyx795/structure.png?h=300&w=458 "(3S,5S,8R,9S,10S,13S,14S,17R)-17-azido-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol")
