ZXCYWPNJXFQNDV-HBDUHBFBSA-N
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 3LcHv3m7Xbn |
|---|---|
| InChI | InChI=1S/C70H120N6O29/c1-38(41-9-10-42-56-43(34-48(79)70(41,42)3)69(2)19-12-40(77)32-39(69)33-44(56)78)8-11-49(80)71-20-29-100-66-63(93)60(90)57(87)45(103-66)35-74(23-13-50(81)72-21-30-101-67-64(94)61(91)58(88)46(104-67)36-75(25-15-52(83)96-4)26-16-53(84)97-5)24-14-51(82)73-22-31-102-68-65(95)62(92)59(89)47(105-68)37-76(27-17-54(85)98-6)28-18-55(86)99-7/h38-48,56-68,77-79,87-95H,8-37H2,1-7H3,(H,71,80)(H,72,81)(H,73,82)/t38-,39+,40-,41-,42+,43+,44-,45+,46-,47-,48+,56+,57+,58-,59-,60-,61+,62+,63+,64-,65-,66+,67-,68-,69+,70-/m1/s1 |
| InChIKey | ZXCYWPNJXFQNDV-HBDUHBFBSA-N |
| Mol Weight | 1509.7 g/mol |
| Molecular Formula | C70H120N6O29 |
| Exact Mass | 1508.809972 g/mol |
| Enantiomer InChIKey | ZXCYWPNJXFQNDV-YKUKIISKSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
WBBQIRHMDDLCHH-QOKIAHHMSA-N
5-BETA-CHOLESTANE-3-ALPHA,7-ALPHA,12-ALPHA,23-TETROL-23-GLUCURONIDE
23-(Benzimidazol-2'-yl)-3.alpha.-[choloyl)oxy]norcholane-7.alpha.,12.alpha.-diol
METHYL-12-BENZYLOXY-3,7-DIHYDROXYCHOLANOATE
Methyl ester of (3.alpha.,5.beta.,7.alpha.,12.alpha.)-12-hydroxy-3,7-bis(1-oxopropoxy)cholan-24-oic acid
Cholic acid, methyl ester, 3,7-diacetate
Methyl 3,7-bis(acetyloxy)-12-hydroxycholan-24-oate
Cholan-24-oic acid, 7,12-bis(acetyloxy)-3-hydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
3A,7A-DIACETYLOXY-12A-HYDROXY-5B-CHOLAN-24-OATE
METHYL-3-ALPHA,7-ALPHA-ACETYLOXY-12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.