SpectraBase Spectrum ID |
Ln3dFGjWrwD |
Name |
Undecitol, 1,2,6,8,11-pentadeoxy-3,7-bis-O-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4-C-methyl-4,5-O-(1-methylethylidene)-10-C-phenyl- |
CAS Registry Number |
96918-76-2 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C39H54O8 |
InChI |
InChI=1S/C39H54O8/c1-10-33(44-24-28-16-20-31(42-8)21-17-28)39(7)36(46-37(4,5)47-39)27(3)34(45-25-29-18-22-32(43-9)23-19-29)26(2)35(40)38(6,41)30-14-12-11-13-15-30/h11-23,26-27,33-36,40-41H,10,24-25H2,1-9H3/t26-,27-,33+,34-,35?,36+,38?,39+/m0/s1 |
InChIKey |
VYGBAHCSYJGHGN-HXNADLJOSA-N |
Molecular Weight |
650.853 g/mol |
SMILES |
OC(C([C@]([C@@]([C@@]([C@@]1([C@](OC(C)(C)O1)([C@](OCc1ccc(cc1)OC)(CC)[H])C)[H])(C)[H])(OCc1ccc(cc1)OC)[H])(C)[H])O)(c1ccccc1)C |
SPLASH |
splash10-00di-0900000000-29eb32a2dceb3434f2f3 |
Source of Spectrum |
KC-1985-32-19 |
Synonyms |
(2RS,3RS,4R,5S,6S,7R,8R,9R)-2,3-dihydroxy-7,8-isopropylidenedioxy-5,9-bis(4-methoxybenzyloxy)-4,6,8-trimethyl-2-phenylundecan
1,4,6,10,11-pentadeoxy-5,9-bis-O-(4-methoxybenzyl)-4,6-dimethyl-8-C-methyl-7,8-O-(1-methylethylidene)-2-C-phenyl-D-erythro-L-galacto-undecitol |
Wiley ID |
1413135 |