| SpectraBase Spectrum ID |
H2n1Qw5HrPZ |
| Name |
Coagulin |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H36O6 |
| InChI |
InChI=1S/C28H36O6/c1-16-14-22(33-23(31)18(16)15-29)26(4)28(32)13-12-27(34-26)20-9-8-17-6-5-7-21(30)25(17,3)19(20)10-11-24(27,28)2/h5-6,8,19-20,22,29,32H,7,9-15H2,1-4H3/t19-,20+,22+,24-,25-,26+,27+,28-/m0/s1 |
| InChIKey |
LOHQECMUTAPWAC-NIPFBDEWSA-N |
| Molecular Weight |
468.590 g/mol |
| SMILES |
O[C@@]12[C@@]3([C@@](O[C@@]1([C@]1(CC(=C(CO)C(O1)=O)C)[H])C)(CC2)[C@@]1(CC=C2C=CCC([C@@]2([C@]1(CC3)[H])C)=O)[H])C |
| SPLASH |
splash10-004i-0900000000-40bee06d78142216c969 |
| Source of Spectrum |
X2-56-1005-1 |
| Synonyms |
(1R,2R,10R,11S,14R,15S,16R)-15-hydroxy-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)]nonadeca-4,6-dien-9-one |
| Wiley ID |
1604930 |
