| SpectraBase Spectrum ID |
6qcT5fCocHS |
| Name |
(-)-(3S,4R,5R,6R)-3-(3',4',5'-Trimethoxy..alpha.-hydroxybenzyl)-4-[3",4"-methylenedioxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)butyrolactone |
| Alternate Name(s) |
(-)-(3S,4R,5R)-3-(3',4',5'-Trimethoxy-(R)-hydroxybenzyl)-4-[3'',4''-methylenedioxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)-dihydro-furan-2-one
(3S,4R,5R)-4-{1,3-benzodioxol-5-yl[bis(phenylsulfanyl)]methyl}-3-[(R)-hydroxy(3,4,5-trimethoxyphenyl)methyl]-5-[(2-isopropyl-5-methylcyclohexyl)oxy]dihydro-2(3H)-furanone |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C44H50O9S2 |
| InChI |
InChI=1S/C44H50O9S2/c1-27(2)28-19-21-43(3,22-20-28)53-42-38(37(41(46)52-42)39(45)29-23-35(47-4)40(49-6)36(24-29)48-5)44(54-31-13-9-7-10-14-31,55-32-15-11-8-12-16-32)30-17-18-33-34(25-30)51-26-50-33/h7-18,23-25,27-28,37-39,42,45H,19-22,26H2,1-6H3/t28?,37-,38+,39-,42-,43?/m0/s1 |
| InChIKey |
JYRYDHGMSTWSDX-LANXRRNFSA-N |
| Molecular Weight |
786.995 g/mol |
| SMILES |
O[C@@](c1cc(OC)c(c(c1)OC)OC)([C@@]1([C@@](C(c2cc3OCOc3cc2)(Sc2ccccc2)Sc2ccccc2)([C@@](OC1=O)(OC1(CCC(CC1)C(C)C)C)[H])[H])[H])[H] |
| SPLASH |
splash10-0002-0900000000-cc2307471681bcc8f343 |
| Source of Spectrum |
KC-0-2627-6 |
| Wiley ID |
779944 |
![(-)-(3S,4R,5R,6R)-3-(3',4',5'-Trimethoxy..alpha.-hydroxybenzyl)-4-[3",4"-methylenedioxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)butyrolactone](/api/spectrum/6qcT5fCocHS/structure.png?h=300&w=458 "(-)-(3S,4R,5R,6R)-3-(3',4',5'-Trimethoxy..alpha.-hydroxybenzyl)-4-[3\",4\"-methylenedioxy-.alpha.,.alpha.-bis(phenylthio)benzyl]-5-(1-menthyloxy)butyrolactone")
