| SpectraBase Spectrum ID |
4MdI8uxdHrf |
| Name |
(+-)-trans-3,4,6,9-tetrahydro-7,10-dihydroxy-1,3,8-trimethyl-1H-naphtho[2,3-C]pyran-6,9-dione[(+-)-isoventilagone] |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
288.099773610 u |
| Formula |
C16H16O5 |
| InChI |
InChI=1S/C16H16O5/c1-6-4-9-5-10-12(16(20)11(9)8(3)21-6)13(17)7(2)14(18)15(10)19/h5-6,8,18,20H,4H2,1-3H3/t6-,8-/m0/s1 |
| InChIKey |
AKSIDWRVAJAXLV-XPUUQOCRSA-N |
| SMILES |
C=12C(C(C)=C(C(C2=CC2=C(C1O)[C@@](O[C@](C2)(C)[H])(C)[H])=O)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971349 |
![(+-)-trans-3,4,6,9-tetrahydro-7,10-dihydroxy-1,3,8-trimethyl-1H-naphtho[2,3-c]pyran-6,9-dione[(+-)-isoventilagone]](/api/spectrum/4MdI8uxdHrf/structure.png?h=300&w=458 "(+-)-trans-3,4,6,9-tetrahydro-7,10-dihydroxy-1,3,8-trimethyl-1H-naphtho[2,3-c]pyran-6,9-dione[(+-)-isoventilagone]")
