| SpectraBase Spectrum ID |
KNColFR7unK |
| Name |
(S,R,R)-2-(2,6,10-Trimethyl-11-bromo-1(E),5(E),9)E)-tridecatrienyl)-3-[(phenylsulfonyl)methyl]-5-[(phenylmethoxy)methyl]-2,3,4,5-tetrahydrofuran |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
614.206544035 u |
| Formula |
C33H43BrO4S |
| InChI |
InChI=1S/C33H43BrO4S/c1-26(13-11-15-28(3)22-34)12-10-14-27(2)20-33-30(25-39(35,36)32-18-8-5-9-19-32)21-31(38-33)24-37-23-29-16-6-4-7-17-29/h4-9,12,15-20,30-31,33H,10-11,13-14,21-25H2,1-3H3/b26-12+,27-20+,28-15+/t30-,31-,33-/m1/s1 |
| InChIKey |
ZUVZBWOVUWTJMM-LKGOKQGUSA-N |
| Molecular Weight |
615.667 g/mol |
| SMILES |
C(S(=O)(=O)C1=CC=CC=C1)[C@@]1([C@](O[C@](C1)(COCC1=CC=CC=C1)[H])(\C=C\(CC\C=C\(CC\C=C\(CBr)C)C)C)[H])[H] |
![(S,R,R)-2-(2,6,10-Trimethyl-11-bromo-1(E),5(E),9)E)-tridecatrienyl)-3-[(phenylsulfonyl)methyl]-5-[(phenylmethoxy)methyl]-2,3,4,5-tetrahydrofuran](/api/spectrum/KNColFR7unK/structure.png?h=300&w=458 "(S,R,R)-2-(2,6,10-Trimethyl-11-bromo-1(E),5(E),9)E)-tridecatrienyl)-3-[(phenylsulfonyl)methyl]-5-[(phenylmethoxy)methyl]-2,3,4,5-tetrahydrofuran")
