| SpectraBase Spectrum ID |
Bcn510hEbds |
| Name |
4,4'-{[(1S,8R,10R,11S,12S,19R,21R,22S,23R,24R)-11,22,23,24-Tetrahydroxy-5,16-bis(4-hydroxybenzyl)-10,21-dimethyl-2,7,9,13,18,20-hexaoxatricyclo[17.3.1.18,12]tetracosane-4,15-diyl]bis(methylene)}bis(2-methoxyphenol) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H64O16 |
| InChI |
InChI=1S/C50H64O16/c1-27-43(55)47-45(57)49(65-27)63-25-33(17-29-5-11-37(51)12-6-29)36(20-32-10-16-40(54)42(22-32)60-4)24-62-48-44(56)28(2)66-50(46(48)58)64-26-34(18-30-7-13-38(52)14-8-30)35(23-61-47)19-31-9-15-39(53)41(21-31)59-3/h5-16,21-22,27-28,33-36,43-58H,17-20,23-26H2,1-4H3/t27-,28-,33?,34?,35?,36?,43-,44-,45-,46-,47+,48+,49-,50-/m1/s1 |
| InChIKey |
QHIRLPWODQGGQS-AKXBHWMISA-N |
| Literature Reference DOI |
10.1002/hlca.200490183 |
| Molecular Weight |
921.046 g/mol |
| SMILES |
Oc1ccc(CC2C(CO[C@]3([C@@]([C@](O[C@@](OCC(C(Cc4cc(c(cc4)O)OC)CO[C@]4([C@@]([C@](O[C@@](OC2)([C@@]4(O)[H])[H])(C)[H])(O)[H])[H])Cc2ccc(cc2)O)([C@@]3(O)[H])[H])(C)[H])(O)[H])[H])Cc2cc(c(cc2)O)OC)cc1 |
| SPLASH |
splash10-0079-2930000000-153d5f4d60caede4d212 |
| Source of Spectrum |
H-87-2055-2 |
| Synonyms |
Berchemin B
(1S,8R,10R,11R,12S,19R,21R,22R,23R,24R)-4,15-bis(4-hydroxy-3-methoxybenzyl)-5,16-bis(4-hydroxybenzyl)-10,21-dimethyl-2,7,9,13,18,20-hexaoxatricyclo[17.3.1.1(8,12)]tetracosane-11,22,23,24-tetraol |
| Wiley ID |
1785586 |
![4,4'-{[(1S,8R,10R,11S,12S,19R,21R,22S,23R,24R)-11,22,23,24-Tetrahydroxy-5,16-bis(4-hydroxybenzyl)-10,21-dimethyl-2,7,9,13,18,20-hexaoxatricyclo[17.3.1.18,12]tetracosane-4,15-diyl]bis(methylene)}bis(2-methoxyphenol)](/api/spectrum/Bcn510hEbds/structure.png?h=300&w=458 "4,4'-{[(1S,8R,10R,11S,12S,19R,21R,22S,23R,24R)-11,22,23,24-Tetrahydroxy-5,16-bis(4-hydroxybenzyl)-10,21-dimethyl-2,7,9,13,18,20-hexaoxatricyclo[17.3.1.18,12]tetracosane-4,15-diyl]bis(methylene)}bis(2-methoxyphenol)")
