| SpectraBase Spectrum ID |
6klW9rkKzk5 |
| Name |
(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-one |
| Alternate Name(s) |
(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-heptanone
(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15-17,19-22,24-25,28,30H,6-14H2,1-5H3/t17-,19+,20-,21+,22+,24-,25+,26+,27-/m1/s1 |
| InChIKey |
IDTRTXTWGAYTFN-KIXKDDPBSA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
O[C@@]1(C=C2[C@](CC[C@@](C2)(O)[H])([C@]2(CC[C@@]3([C@](CC[C@]3([C@]12[H])[H])([C@@](CCC(C(C)C)=O)(C)[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-00di-9100000000-75c2785c15a8a189a004 |
| Source of Spectrum |
X2-57-626-8 |
| Wiley ID |
1605407 |
![(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-one](/api/spectrum/6klW9rkKzk5/structure.png?h=300&w=458 "(6R)-6-[(3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptan-3-one")
