| SpectraBase Compound ID | AoEQNcvMMSm |
|---|---|
| InChI | InChI=1S/C47H82O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-44(51)53-32-47(52,43(50)29-34(3)38-28-33(38)2)41-25-24-39-37-23-22-35-30-36(48)26-27-45(35,4)40(37)31-42(49)46(39,41)5/h33-35,37-43,49-50,52H,6-32H2,1-5H3/t33-,34+,35-,37-,38+,39-,40-,41-,42+,43+,45-,46-,47+/m0/s1 |
| InChIKey | YTLWCMFPKXVQMD-BTZDNJTDSA-N |
| Mol Weight | 743.2 g/mol |
| Molecular Formula | C47H82O6 |
| Exact Mass | 742.61114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6qKnBiYW6at |
|---|---|
| Name | 21-O-OCTADECANOYL-XESTOKEROL_A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H82O6 |
| InChI | InChI=1S/C47H82O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-44(51)53-32-47(52,43(50)29-34(3)38-28-33(38)2)41-25-24-39-37-23-22-35-30-36(48)26-27-45(35,4)40(37)31-42(49)46(39,41)5/h33-35,37-43,49-50,52H,6-32H2,1-5H3/t33-,34+,35-,37-,38+,39-,40-,41-,42+,43+,45-,46-,47+/m0/s1 |
| InChIKey | YTLWCMFPKXVQMD-BTZDNJTDSA-N |
| Literature Reference Author | X.C.NGUYEN,A.LONGEON,V.C.PHAM,F.URVOIS,C.BRESSY,T.T.VANTRINH ,H.N.NGUYEN,V.K.PHAN |
| Literature Reference Citation | J.NAT.PROD.,76,1313(2013) |
| Literature Reference DOI | 10.1021/np400288j |
| Molecular Weight | 743.164 g/mol |
| Sample ID | 42779 |
| Solvent | CDCl3 |