| SpectraBase Spectrum ID |
2rBViYRad8x |
| Name |
(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,6R)-6-methyl-7-oxidanyl-heptan-2-yl]-7-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Alternate Name(s) |
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(1R,5R)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h14,17-18,21-25,28,30H,5-13,15-16H2,1-4H3/t17-,18-,21-,22+,23+,24-,25+,26+,27-/m1/s1 |
| InChIKey |
KVJVJJWIEXCECB-OICBIKJFSA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
O[C@]1([C@]2([C@]3([C@@]([C@@]([C@@](CCC[C@](CO)(C)[H])(C)[H])(CC3)[H])(CC[C@@]2([C@@]2(C(C1)=CC(CC2)=O)C)[H])C)[H])[H])[H] |
| SPLASH |
splash10-02t9-0028900000-9d25d16a108c20ffd371 |
| Source of Spectrum |
F-53-8134-2 |
| Wiley ID |
802459 |
![(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,6R)-6-methyl-7-oxidanyl-heptan-2-yl]-7-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one](/api/spectrum/2rBViYRad8x/structure.png?h=300&w=458 "(7R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R,6R)-6-methyl-7-oxidanyl-heptan-2-yl]-7-oxidanyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one")
