| SpectraBase Spectrum ID |
BOLk7RXUiW |
| Name |
(3S,4aR,5S,8R)-8-hydroxy-4a,5-dimethyl-3-[(E)-1-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-vinyl]-3,4,5,6,7,8-hexahydronaphthalen-2-one |
| Appearance |
White powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O8 |
| InChI |
InChI=1S/C21H32O8/c1-10(9-28-20-19(27)18(26)17(25)16(8-22)29-20)12-7-21(3)11(2)4-5-14(23)13(21)6-15(12)24/h6,9,11-12,14,16-20,22-23,25-27H,4-5,7-8H2,1-3H3/b10-9+/t11-,12-,14+,16+,17+,18-,19+,20+,21+/m0/s1 |
| InChIKey |
ZUXDAUFWFOCRLZ-LBZWAWMTSA-N |
| Instrument Name |
Bruker Daltonics Analysis 3.2 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np200188w |
| Molecular Weight |
412.479 g/mol |
| Optical Rotation |
[a]D25 = +11.5 (c = 0.13, MeOH) |
| Reported Formula |
C21H32O8 |
| SMILES |
OC[C@@]1([C@]([C@@]([C@]([C@@](O1)(O\C=C\([C@@]1(C[C@@]2([C@](CC[C@](C2=CC1=O)(O)[H])(C)[H])C)[H])C)[H])(O)[H])(O)[H])(O)[H])[H] |
| SPLASH |
splash10-0fb9-0960000000-f31da65fc56dae390495 |
| Source of Spectrum |
G4-74-1588-5 |
| Wiley ID |
1849193 |
![(3S,4aR,5S,8R)-8-hydroxy-4a,5-dimethyl-3-[(E)-1-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-vinyl]-3,4,5,6,7,8-hexahydronaphthalen-2-one](/api/spectrum/BOLk7RXUiW/structure.png?h=300&w=458 "(3S,4aR,5S,8R)-8-hydroxy-4a,5-dimethyl-3-[(E)-1-methyl-2-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-vinyl]-3,4,5,6,7,8-hexahydronaphthalen-2-one")
