Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: theta-Cyclodextrin
RN: 156510-95-1
InChIKey: YTCJPMWRBDVDMB-ZQMQSLPDSA-N

Molecular Formula

  • C78-H130-O65

Molecular Weight

  • 2107.82
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

  • theta-Cyclodextrin

Registry Numbers

CAS Registry Number

  • 156510-95-1

System Generated Number

  • 0156510951

Structure Descriptors

InChI

1S/C78H130O65/c79-1-14-64-51(116)65(66(117)118-14)131-52-15(2-80)119-67(39(104)27(52)92)132-53-16(3-81)120-68(40(105)28(53)93)133-54-17(4-82)121-69(41(106)29(54)94)134-55-18(5-83)122-70(42(107)30(55)95)135-56-19(6-84)123-71(43(108)31(56)96)136-57-20(7-85)124-72(44(109)32(57)97)137-58-21(8-86)125-73(45(110)33(58)98)138-59-22(9-87)126-74(46(111)34(59)99)139-60-23(10-88)127-75(47(112)35(60)100)140-61-24(11-89)128-76(48(113)36(61)101)141-62-25(12-90)129-77(49(114)37(62)102)142-63-26(13-91)130-78(143-64)50(115)38(63)103/h14-117H,1-13H2/t14-,15-,16-,17-,18-,19-,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-,64-,65-,66+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-/m1/s1

InChIKey

YTCJPMWRBDVDMB-ZQMQSLPDSA-N

Smiles

OC[C@H]1O[C@H](O)[C@@H]2O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]9[C@H](O)[C@@H](O)[C@H](O[C@@H]9CO)O[C@H]%10[C@H](O)[C@@H](O)[C@H](O[C@@H]%10CO)O[C@H]%11[C@H](O)[C@@H](O)[C@H](O[C@@H]%11CO)O[C@H]%12[C@H](O)[C@@H](O)[C@H](O[C@@H]%12CO)O[C@H]%13[C@H](O)[C@@H](O)[C@H](O[C@@H]%13CO)O[C@H]%14[C@H](O)[C@@H](O)[C@H](O[C@@H]%14CO)O[C@H]1[C@@H]2O