| SpectraBase Spectrum ID |
BJ2B0xUqYcm |
| Name |
(1S,3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol |
| Alternate Name(s) |
(1S,3R,8S,9S,10R,13R,14S,17R)-17-[(1R)-5-hydroxy-1,5-dimethyl-hex-3-ynyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol
(1S,3R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol |
| CAS Registry Number |
80164-11-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O3 |
| InChI |
InChI=1S/C27H42O3/c1-17(7-6-13-25(2,3)30)21-10-11-22-20-9-8-18-15-19(28)16-24(29)27(18,5)23(20)12-14-26(21,22)4/h8,17,19-24,28-30H,7,9-12,14-16H2,1-5H3/t17-,19-,20+,21-,22+,23+,24+,26-,27+/m1/s1 |
| InChIKey |
SAQFWLQMCBTJEQ-FDRPCONVSA-N |
| Molecular Weight |
414.630 g/mol |
| SMILES |
OC(C#CC[C@]([C@]1(CC[C@]2([C@@]3(CC=C4[C@]([C@](C[C@@](C4)(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])[H])(C)[H])(C)C |
| SPLASH |
splash10-0a4i-9707000000-9858941b18ab6a98dabd |
| Source of Spectrum |
H-65-1516-0 |
| Wiley ID |
1375707 |
![(1S,3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol](/api/spectrum/BJ2B0xUqYcm/structure.png?h=300&w=458 "(1S,3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methyl-6-oxidanyl-hept-4-yn-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-1,3-diol")
