| SpectraBase Spectrum ID |
F0FuX98dfMg |
| Name |
(5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one |
| Alternate Name(s) |
(5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one
(5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5R)-5,6-dimethyl-3,4-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O3 |
| InChI |
InChI=1S/C28H46O3/c1-16(2)17(3)25(30)26(31)18(4)20-10-11-21-19-15-24(29)23-9-7-8-13-27(23,5)22(19)12-14-28(20,21)6/h7-8,16-23,25-26,30-31H,9-15H2,1-6H3/t17-,18+,19+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1 |
| InChIKey |
MJVCJGGOYKSADY-OKGIPSMLSA-N |
| Molecular Weight |
430.673 g/mol |
| SMILES |
O[C@@]([C@@]([C@]([C@@]1([C@@]2([C@]([C@@]3(CC(=O)[C@@]4([C@@]([C@]3(CC2)[H])(CC=CC4)C)[H])[H])(CC1)[H])C)[H])(C)[H])(O)[H])([C@@](C(C)C)(C)[H])[H] |
| SPLASH |
splash10-001i-0009300000-162b18b569e79b0ea0b3 |
| Source of Spectrum |
KC-0-1497-5 |
| Wiley ID |
783967 |
![(5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one](/api/spectrum/F0FuX98dfMg/structure.png?h=300&w=458 "(5S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R,3R,4R)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-10,13-dimethyl-1,4,5,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-one")
