| SpectraBase Spectrum ID |
1gDIJULY6w9 |
| Name |
(2S,3S,9S,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,9-triol |
| Alternate Name(s) |
(2S,3S,9S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,9-triol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O3 |
| InChI |
InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)21-11-12-22-23-10-9-20-15-24(29)25(30)16-27(20,6)28(23,31)14-13-26(21,22)5/h7-8,10,17-22,24-25,29-31H,9,11-16H2,1-6H3/b8-7+/t18-,19+,20?,21+,22-,24-,25-,26+,27-,28+/m0/s1 |
| InChIKey |
RVWGLBNUTMYAOL-DUYJRRCNSA-N |
| Molecular Weight |
430.673 g/mol |
| SMILES |
O[C@@]12CC[C@@]3([C@](CC[C@]3(C2=CCC2[C@@]1(C[C@@]([C@](C2)(O)[H])(O)[H])C)[H])([C@@](\C=C\[C@](C)(C(C)C)[H])(C)[H])[H])C |
| SPLASH |
splash10-03di-1058900000-5f1b9ec295a3617c8c39 |
| Source of Spectrum |
X2-54-1001-5 |
| Wiley ID |
1604151 |
![(2S,3S,9S,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,9-triol](/api/spectrum/1gDIJULY6w9/structure.png?h=300&w=458 "(2S,3S,9S,10S,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,5,6,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,9-triol")
