| SpectraBase Spectrum ID |
kCdw9BfNub |
| Name |
(1'S,2'S)-8-(Methoxycarbonyl)octyl 6-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-.beta.,D-mannopyranoside |
| Alternate Name(s) |
8-(Methoxycarbonyl)octyl 6-O-benzoyl-3,4-O-(1',2'-dimethoxycyclohexane-1',2'-diyl)-.beta.,D-mannopyranoside
{(1R,3R,4S,4aR,5aS,9aS,10aR)-4-hydroxy-5a,9a-dimethoxy-3-[(9-methoxy-9-oxononyl)oxy]decahydro-1H-pyrano[3,4-b][1,4]benzodioxin-1-yl}methyl benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H46O11 |
| InChI |
InChI=1S/C31H46O11/c1-35-24(32)17-11-6-4-5-7-14-20-38-29-25(33)27-26(23(40-29)21-39-28(34)22-15-9-8-10-16-22)41-30(36-2)18-12-13-19-31(30,37-3)42-27/h8-10,15-16,23,25-27,29,33H,4-7,11-14,17-21H2,1-3H3/t23-,25+,26-,27-,29-,30+,31+/m1/s1 |
| InChIKey |
FWQOAMHMQSXXKI-HUCFRTTNSA-N |
| Molecular Weight |
594.698 g/mol |
| SMILES |
O[C@]1([C@@]2([C@](O[C@@]3([C@](O2)(OC)CCCC3)OC)([C@@](COC(=O)c2ccccc2)(O[C@]1(OCCCCCCCCC(=O)OC)[H])[H])[H])[H])[H] |
| SPLASH |
splash10-03di-0000090000-aadd1f7b89da06a9312f |
| Source of Spectrum |
KC-0-361-42 |
| Wiley ID |
787231 |
