| SpectraBase Spectrum ID |
IzGTgiqRb76 |
| Name |
(14R,17S,20S,22R)-5.alpha.,6.beta.,17-trihydroxy-14,20-epoxy-1-oxowitha-2,24-dienolide |
| Alternate Name(s) |
(1R,2R,4R,5R,10R,11S,14R,15R,16S)-4,5-dihydroxy-16-[(2R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.0(1,14).0(2,11).0(5,10)]nonadec-7-en-9-one
Coagulin H (14R,17S,20S,22R)-5.alpha.,6.beta.,17-trihydroxy-14,20-epoxy-1-oxowitha-2,24-dienolide) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H38O7 |
| InChI |
InChI=1S/C28H38O7/c1-15-13-21(34-22(31)16(15)2)25(5)28(33)12-11-27(35-25)18-14-20(30)26(32)9-6-7-19(29)24(26,4)17(18)8-10-23(27,28)3/h6-7,17-18,20-21,30,32-33H,8-14H2,1-5H3/t17-,18+,20+,21+,23-,24-,25+,26-,27+,28-/m0/s1 |
| InChIKey |
CCFYFYQWMCVPHP-FCJAVCIGSA-N |
| Molecular Weight |
486.605 g/mol |
| SMILES |
O[C@]12[C@@]3([C@]([C@@]4(C[C@]([C@]5(CC=CC([C@@]5([C@]4(CC3)[H])C)=O)O)(O)[H])[H])(CC1)O[C@@]2([C@@]1(OC(=O)C(=C(C1)C)C)[H])C)C |
| SPLASH |
splash10-03fr-9800000000-93b462a354de69e702d8 |
| Source of Spectrum |
H1-48-1808-2 |
| Wiley ID |
816497 |
