| SpectraBase Spectrum ID |
BCPsejAKqrq |
| Name |
2-{[3-OXO-17-(TETRAHYDRO-2H-PYRAN-2-YLOXY)ANDROSTAN-2-YL]METHYL}-17-(TETRAHYDRO-2H-PYRAN-2-YLOXY)ANDROSTAN-3-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
760.564190161 u |
| Formula |
C49H76O6 |
| InChI |
InChI=1S/C49H76O6/c1-46-21-19-38-34(36(46)15-17-42(46)54-44-9-5-7-23-52-44)13-11-32-26-40(50)30(28-48(32,38)3)25-31-29-49(4)33(27-41(31)51)12-14-35-37-16-18-43(47(37,2)22-20-39(35)49)55-45-10-6-8-24-53-45/h30-39,42-45H,5-29H2,1-4H3/t30?,31?,32?,33?,34-,35?,36-,37?,38-,39?,42?,43?,44?,45?,46-,47-,48-,49-/m0/s1 |
| InChIKey |
YOHQALGPSIFZSK-CUPQDXDASA-N |
| Molecular Weight |
761.141 g/mol |
| Nominal Mass |
760 u |
| Number of Peaks |
200 |
| SMILES |
C1(C(C[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCC2C1)[H])[H])OC1CCCCO1)C)[H])C)CC1C(CC2CCC3C4CCC([C@@]4(C)CCC3[C@]2(C1)C)OC1CCCCO1)=O)=O |
| SPLASH |
splash10-000i-9331000000-906cf9b384179e58c9cc |
| Source File Reference |
LMCM-88191-919G |
| Source of Spectrum |
Prof. J. Seibl; ETH Zurich, Switzerland |
| Synonyms |
(1S,2S,10R,11S,15S)-4-{[(2S,15S)-2,15-dimethyl-14-(oxan-2-yloxy)-5-oxotetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-4-yl]methyl}-2,15-dimethyl-14-(oxan-2-yloxy)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-5-one |
| Wiley ID |
8_18716 |
![2-([3-Oxo-17-(tetrahydro-2H-pyran-2-yloxy)androstan-2-yl]methyl)-17-(tetrahydro-2H-pyran-2-yloxy)androstan-3-one](/api/spectrum/BCPsejAKqrq/structure.png?h=300&w=458 "2-([3-Oxo-17-(tetrahydro-2H-pyran-2-yloxy)androstan-2-yl]methyl)-17-(tetrahydro-2H-pyran-2-yloxy)androstan-3-one")
