Try beta.chemspider
- Double-bond stereo
- 21 of 21 defined stereocentres
- Non-standard isotope
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-{[(6-Deoxy-2,3-di-O-methyl-beta-D-talopyranosyl)oxy]methyl}-6-{[3,6-dideoxy-4-O-{2,6-dideoxy-3-C-methyl-4-O-[3-(~2~H_3_)methyl(~2~H_6_)butanoyl]-alpha-L-ribo-hexopy ranosyl}-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-16-ethyl-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-4-yl acetate
[2H]C([2H])(C(=O)O[C@H]1[C@H](C)O[C@H](C[C@@]1(C)O)O[C@H]1[C@@H]([C@@H](O)[C@@H](O[C@@H]1C)O[C@H]1[C@@H](CC=O)C[C@@H](C)C(=O)C=CC(C)=C[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](OC)[C@@H]2OC)[C@@H](CC)OC(=O)C[C@@H](OC(C)=O)[C@@H]1C)N(C)C)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H] |t:37,40|
InChI=1S/C53H87NO19/c1-16-38-36(26-65-52-49(64-15)48(63-14)44(60)31(7)67-52)22-28(4)17-18-37(57)29(5)23-35(19-20-55)46(30(6)39(69-34(10)56)24-41(59)70-38)73-51-45(61)43(54(12)13)47(32(8)68-51)72-42-25-53(11,62)50(33(9)66-42)71-40(58)21-27(2)3/h17-18,20,22,27,29-33,35-36,38-39,42-52,60-62H,16,19,21,23-26H2,1-15H3/b18-17+,28-22+/t29-,30+,31-,32-,33+,35+,36-,38-,39-,42+,43-,44+,45-,46-,47-,48+,49+,50+,51+,52-,53-/m1/s1/i2D3,3D3,21D2,27D
KCJJINQANFZSAM-GYLINRLFSA-N
CSID:107444143, http://www.chemspider.com/Chemical-Structure.107444143.html (accessed 05:23, Jul 8, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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