| SpectraBase Spectrum ID |
9fSjJVUY0kY |
| Name |
3,5,4'-Triacetyl-scariosin |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
526.183897156 u |
| Formula |
C28H30O10 |
| InChI |
InChI=1S/C28H30O10/c1-14(2)8-10-19-21(33-6)13-23(36-16(4)30)24-25(32)28(37-17(5)31)26(38-27(19)24)18-9-11-20(35-15(3)29)22(12-18)34-7/h8-9,11-13,26,28H,10H2,1-7H3/t26-,28+/m1/s1 |
| InChIKey |
ZENJTXAAOIUSDK-IAPPQJPRSA-N |
| Molecular Weight |
526.538 g/mol |
| SMILES |
C=12C(O[C@@]([C@](C2=O)(OC(=O)C)[H])(C=2C=C(OC)C(=CC2)OC(=O)C)[H])=C(CC=C(C)C)C(=CC1OC(=O)C)OC |
