| SpectraBase Spectrum ID |
DpseVDJc3NL |
| Name |
1-O-[(3beta)-27-Hydroxy-3-(beta-D-mannopyranosyloxy)-27,28-dioxours-12-en-28-yl]-beta-D-glucopyranose |
| Alternate Name(s) |
Asphorin A
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-(((2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4a-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-6a(1H)-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H66O15 |
| InChI |
InChI=1S/C42H66O15/c1-19-9-14-41(37(53)57-35-33(50)31(48)29(46)23(18-44)55-35)15-16-42(36(51)52)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)56-34-32(49)30(47)28(45)22(17-43)54-34/h7,19-20,22-35,43-50H,8-18H2,1-6H3,(H,51,52)/t19-,20+,22-,23-,24+,25-,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,39+,40-,41+,42-/m1/s1 |
| InChIKey |
LDCLXZSKVDYDBF-CGZGAWRZSA-N |
| Literature Reference DOI |
10.1002/hlca.201100261 |
| Molecular Weight |
810.975 g/mol |
| SMILES |
O[C@@]1([C@]([C@@]([C@](O[C@]1(OC([C@@]12CC[C@]3([C@]4([C@]([C@]5(CC[C@](O[C@@]6(O[C@](CO)([C@]([C@@]([C@@]6(O)[H])(O)[H])(O)[H])[H])[H])(C([C@@]5(CC4)[H])(C)C)[H])C)([H])CC=C3[C@@]1([C@]([C@](C)(CC2)[H])(C)[H])[H])C)C(=O)O)=O)[H])(CO)[H])(O)[H])(O)[H])[H] |
| SPLASH |
splash10-0avr-9110000000-97c69d6870f25ff13145 |
| Source of Spectrum |
H-95-150-1 |
| Wiley ID |
1786128 |
![1-O-[(3beta)-27-Hydroxy-3-(beta-D-mannopyranosyloxy)-27,28-dioxours-12-en-28-yl]-beta-D-glucopyranose](/api/spectrum/DpseVDJc3NL/structure.png?h=300&w=458 "1-O-[(3beta)-27-Hydroxy-3-(beta-D-mannopyranosyloxy)-27,28-dioxours-12-en-28-yl]-beta-D-glucopyranose")
