| SpectraBase Spectrum ID |
4exJYoguuLS |
| Name |
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(1R,2R)-1,2-dihydroxy-1,4,5-trimethyl-hexyl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| Alternate Name(s) |
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(2R,3R)-5,6-dimethyl-2,3-bis(oxidanyl)heptan-2-yl]-10,13-dimethyl-2,3,11,14-tetrakis(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O7 |
| InChI |
InChI=1S/C28H46O7/c1-14(2)15(3)9-23(33)27(6,34)22-7-8-28(35)17-11-18(29)16-10-19(30)20(31)12-25(16,4)24(17)21(32)13-26(22,28)5/h11,14-16,19-24,30-35H,7-10,12-13H2,1-6H3/t15?,16-,19+,20-,21+,22-,23+,24+,25-,26+,27+,28+/m0/s1 |
| InChIKey |
SNXLRGKKELEIRO-KXQFVTLTSA-N |
| Molecular Weight |
494.669 g/mol |
| SMILES |
O[C@@]([C@@]([C@@]1([C@@]2([C@@](CC1)(C1=CC([C@@]3(C[C@]([C@](C[C@@]3([C@]1([C@@](C2)(O)[H])[H])C)(O)[H])(O)[H])[H])=O)O)C)[H])(O)C)(CC(C(C)C)C)[H] |
| SPLASH |
splash10-002f-1129000000-7511e9b09ee425527132 |
| Source of Spectrum |
F-54-1664-3 |
| Wiley ID |
805906 |
![(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(1R,2R)-1,2-dihydroxy-1,4,5-trimethyl-hexyl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one](/api/spectrum/4exJYoguuLS/structure.png?h=300&w=458 "(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(1R,2R)-1,2-dihydroxy-1,4,5-trimethyl-hexyl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one")
