| SpectraBase Spectrum ID |
5aGt12Rz9ro |
| Name |
(5SR,8SR)-trans-5,6,6a,7,8,12b-hexahydro-1,12-dimethylbenzo[c]phenanthrene-5,8-diyl dibutyrate |
| Alternate Name(s) |
8-(butyryloxy)-1,12-dimethyl-5,6,6a,7,8,12b-hexahydrobenzo[c]phenanthren-5-yl butyrate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H34O4 |
| InChI |
InChI=1S/C28H34O4/c1-5-9-24(29)31-22-15-19-16-23(32-25(30)10-6-2)21-14-8-12-18(4)27(21)28(19)26-17(3)11-7-13-20(22)26/h7-8,11-14,19,22-23,28H,5-6,9-10,15-16H2,1-4H3/t19?,22-,23-,28-/m1/s1 |
| InChIKey |
AQACDHZVWVKBEE-SVXMSUBUSA-N |
| Molecular Weight |
434.576 g/mol |
| SMILES |
C12c3c(cccc3C)[C@@](CC1C[C@@](OC(=O)CCC)(c1c2c(ccc1)C)[H])(OC(=O)CCC)[H] |
| SPLASH |
splash10-0006-0090200000-493c1005472058cb4751 |
| Source of Spectrum |
J-62-7045-1 |
| Wiley ID |
1383104 |
![(5SR,8SR)-trans-5,6,6a,7,8,12b-hexahydro-1,12-dimethylbenzo[c]phenanthrene-5,8-diyl dibutyrate](/api/spectrum/5aGt12Rz9ro/structure.png?h=300&w=458 "(5SR,8SR)-trans-5,6,6a,7,8,12b-hexahydro-1,12-dimethylbenzo[c]phenanthrene-5,8-diyl dibutyrate")
