| SpectraBase Spectrum ID |
5utFyft8e5C |
| Name |
7,8,9,10-Tetrahydrobenzo[A]pyren-7.beta,8.alpha-diol bis[menth-3-lyoxy]acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
680.407689517 u |
| Formula |
C44H56O6 |
| InChI |
InChI=1S/C44H56O6/c1-25(2)32-15-10-27(5)20-38(32)47-23-40(45)49-37-19-18-34-35-17-14-30-9-7-8-29-12-13-31(43(35)42(29)30)22-36(34)44(37)50-41(46)24-48-39-21-28(6)11-16-33(39)26(3)4/h7-9,12-14,17,22,25-28,32-33,37-39,44H,10-11,15-16,18-21,23-24H2,1-6H3 |
| InChIKey |
KBRXZJFQXLFEQL-UHFFFAOYSA-N |
| SMILES |
C1=2C3=CC=C4C2C(C=CC1=CC=C3)=CC1=C4CCC(C1OC(COC1C(CCC(C1)C)C(C)C)=O)OC(=O)COC1C(CCC(C1)C)C(C)C |
![7,8,9,10-Tetrahydrobenzo[A]pyren-7.beta,8.alpha-diol bis[menth-3-lyoxy]acetate](/api/spectrum/5utFyft8e5C/structure.png?h=300&w=458 "7,8,9,10-Tetrahydrobenzo[A]pyren-7.beta,8.alpha-diol bis[menth-3-lyoxy]acetate")
