| SpectraBase Spectrum ID |
GFENoyKTltp |
| Name |
(3S,5R,6R,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4S)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| CAS Registry Number |
516-37-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O3 |
| InChI |
InChI=1S/C28H46O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19-,20+,22-,23+,24+,25-,26-,27-,28+/m1/s1 |
| InChIKey |
ARXHRTZAVQOQEU-LYHJVHLQSA-N |
| Molecular Weight |
430.673 g/mol |
| SMILES |
O[C@@]1(C=C2[C@@]([C@]3(CC[C@@](C[C@]13O)(O)[H])C)(CC[C@@]1([C@](CC[C@@]21[H])([C@@](\C=C\[C@](C(C)C)(C)[H])(C)[H])[H])C)[H])[H] |
| SPLASH |
splash10-004i-0096100000-3be1cb9cdf6774f2a9b1 |
| Source of Spectrum |
X2-50-919-6 |
| Synonyms |
(3S,5R,6R,9S,10R,13R,14R,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,5,6-triol |
| Wiley ID |
1602463 |
