Cavasol w8 hp

Structural Information

Molecular Formula

C₆₃H₁₁₀O₄₅

SMILES

CC(COC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)COCC(C)O)COCC(C)O)COCC(C)O)COCC(C)O)CO)CO)O)O)O

InChI

InChI=1S/C63H110O45/c1-19(67)9-88-14-27-51-35(75)43(83)59(96-27)102-49-25(7-65)93-56(40(80)32(49)72)101-48-24(6-64)94-57(41(81)33(48)73)105-52-28(15-89-10-20(2)68)98-61(45(85)37(52)77)107-54-30(17-91-12-22(4)70)100-63(47(87)39(54)79)108-55-31(18-92-13-23(5)71)99-62(46(86)38(55)78)106-53-29(16-90-11-21(3)69)97-60(44(84)36(53)76)103-50-26(8-66)95-58(104-51)42(82)34(50)74/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

InChIKey

YPWZFSMZSNIVAQ-UHWSPLBMSA-N

Compound name

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55R,56R)-5,15,40-tris(hydroxymethyl)-10,20,25,30,35-pentakis(2-hydroxypropoxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56-hexadecol

Related CIDs

• CID 131635392