| SpectraBase Spectrum ID |
2J9SLwglfGf |
| Name |
Celastroidine B |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H60O4 |
| InChI |
InChI=1S/C40H60O4/c1-22(2)38-29(41)21-26-24(13-15-27-34(5,6)17-11-19-36(26,27)9)30(38)31-25-14-16-28-35(7,8)18-12-20-37(28,10)32(25)40(38,44)33(42)39(31,43)23(3)4/h21-24,27-28,30-31,43-44H,11-20H2,1-10H3/t24-,27?,28?,30-,31-,36-,37+,38+,39+,40+/m1/s1 |
| InChIKey |
OYTDZULGYVSFEW-INYOYJBYSA-N |
| Molecular Weight |
604.916 g/mol |
| SMILES |
O[C@]1([C@]2([C@@]3([C@@]([C@@](C1=O)(C1=C2CCC2[C@@]1(CCCC2(C)C)C)O)(C(C=C1[C@@]2(C(CC[C@@]31[H])C(CCC2)(C)C)C)=O)C(C)C)[H])[H])C(C)C |
| SPLASH |
splash10-0uxr-5589000000-0bc4678cc2b18906ffac |
| Source of Spectrum |
I-78-253-2 |
| Synonyms |
(11S,18S)-16,27-dihydroxy-15,27-diisopropyl-7,7,11,18,22,22-hexamethylheptacyclo[14.10.2.0(2,15).0(3,12).0(6,11).0(17,26).0(18,23)]octacosa-12,17(26)-diene-14,28-dione |
| Wiley ID |
748099 |
