| SpectraBase Spectrum ID |
CT61FjwpFHw |
| Name |
2.alpha.,3.beta.,4.alpha.,6.beta.,11,19-hexahydroxy-9,11-secocholest-(22E,24S)-24-methylen-9-one (Euryspongiol A3) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H48O7 |
| InChI |
InChI=1S/C28H48O7/c1-15(2)16(3)6-7-17(4)19-8-9-20(27(19,5)10-11-29)18-12-21(31)23-25(34)24(33)22(32)13-28(23,14-30)26(18)35/h6-7,15-25,29-34H,8-14H2,1-5H3/b7-6+/t16-,17-,18?,19-,20+,21-,22-,23?,24+,25+,27-,28-/m1/s1 |
| InChIKey |
ZAHCAJSTBYCUIW-ILQMUJQGSA-N |
| Molecular Weight |
496.685 g/mol |
| SMILES |
O[C@]1(C2[C@](CO)(C[C@]([C@@]1(O)[H])(O)[H])C(C(C[C@]2(O)[H])[C@]1([C@@]([C@]([C@@](\C=C\[C@](C(C)C)(C)[H])(C)[H])([H])CC1)(CCO)C)[H])=O)[H] |
| SPLASH |
splash10-014i-0000900000-461678330d956ca07dff |
| Source of Spectrum |
F-50-3824-3 |
| Synonyms |
(3R,3aS,6aS,8R,9S,10S,11R,13aS)-5,8,9,10,11-pentahydroxy-6a-(hydroxymethyl)-3a-methyl-3-[(1R,2E,4S)-1,4,5-trimethyl-2-hexenyl]hexadecahydro-6H-benzo[a]cyclopenta[f]cyclodecen-6-one |
| Wiley ID |
1398281 |
