| SpectraBase Spectrum ID |
L6CnT51aV9v |
| Name |
2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5-bis(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]ethanoic acid |
| Alternate Name(s) |
2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-3,5-dihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]acetic acid
2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-3,5-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]acetic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50O4 |
| InChI |
InChI=1S/C29H50O4/c1-18(2)7-6-8-19(3)22-9-10-23-21-11-14-29(33)17-25(30)20(15-26(31)32)16-28(29,5)24(21)12-13-27(22,23)4/h18-25,30,33H,6-17H2,1-5H3,(H,31,32)/t19-,20+,21+,22-,23+,24+,25+,27-,28-,29-/m1/s1 |
| InChIKey |
KTLTVJCHOOHBMQ-CTVRLNGYSA-N |
| Molecular Weight |
462.715 g/mol |
| SMILES |
OC(C[C@]1(C[C@]2([C@@](CC[C@@]3([C@@]2(CC[C@@]2([C@](CC[C@@]32[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H])(C[C@@]1(O)[H])O)C)[H])=O |
| SPLASH |
splash10-01t9-0000900000-4d7988c42b5230bd5729 |
| Source of Spectrum |
J-59-4398-16 |
| Wiley ID |
1391184 |
![2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5-bis(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]ethanoic acid](/api/spectrum/L6CnT51aV9v/structure.png?h=300&w=458 "2-[(2R,3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3,5-bis(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-yl]ethanoic acid")
