Try beta.chemspider
- 24 of 45 defined stereocentres
(1S,3R,6S,8R,11S,13R,16S,18R,21S,23R,26S,28R,31S,33R,36S,38R,41R,43R,45R,47R,49R,51R,53R,55R)-5,10,25-Tris(hydroxymethyl)-15,20,30,35,40-pentakis[(2-hydroxypropoxy)methyl]-2,4,7,9,12,14,17,19,22,24,27 ,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~.2~33,36~]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol
CC(COCC1[C@@H]2[C@@H](C([C@H](O1)O[C@H]3[C@@H](C([C@@H](O[C@H]4[C@@H](C([C@@H](O[C@H]5[C@@H](C([C@@H](O[C@H]6[C@@H](C([C@@H](O[C@H]7[C@@H](C([C@@H](O[C@H]8[C@@H](C([C@@H](O[C@H]9[C@@H](C([C@@H](O2)OC9CO)O)O)OC8CO)O)O)OC7COCC(C)O)O)O)OC6COCC(C)O)O)O)OC5CO)O)O)OC4COCC(C)O)O)O)OC3COCC(C)O)O)O)O)O)O
InChI=1S/C63H110O45/c1-19(67)9-88-14-27-51-38(78)46(86)62(99-27)108-55-31(18-92-13-23(5)71)100-63(47(87)39(55)79)107-54-30(17-91-12-22(4)70)97-60(44(84)36(54)76)103-50-26(8-66)95-58(42(82)34(50)74)105-52-28(15-89-10-20(2)68)98-61(45(85)37(52)77)106-53-29(16-90-11-21(3)69)96-59(43(83)35(53)75)102-49-25(7-65)93-56(40(80)32(49)72)101-48-24(6-64)94-57(104-51)41(81)33(48)73/h19-87H,6-18H2,1-5H3/t19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32-,33-,34-,35-,36-,37-,38-,39-,40?,41?,42?,43?,44?,45?,46?,47?,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m1/s1
SYRUEUHBRJCPED-HWJMFGMVSA-N
CSID:2015331, http://www.chemspider.com/Chemical-Structure.2015331.html (accessed 06:31, Jun 1, 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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