| SpectraBase Compound ID | ASJE3Lrhtd2 |
|---|---|
| InChI | InChI=1S/C43H66O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,36-37,40-44,47-49H,3-4,9-10,15-16,20,24-25,27,29-35H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,18-17-,22-19-,23-21-,28-26-/t36-,37+,40-,41-,42+,43+/m1/s1 |
| InChIKey | ZUMRLLQCQWMBIK-TUDGWKSTSA-N |
| Mol Weight | 743.0 g/mol |
| Molecular Formula | C43H66O10 |
| Exact Mass | 742.465598 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTB3EhIfmog |
|---|---|
| Name | CAPSOFULVESIN-A;(2S)-1-O-(6Z,9Z,12Z,15Z-OCTADECATETRAENOYL)-2-O-(4Z,7Z,10Z,13Z-HEXADECATETRAENOYL)-3-O-BETA-D-GALACTOPYRANOSYL-GLYCEROL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H66O10 |
| InChI | InChI=1S/C43H66O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26,28,36-37,40-44,47-49H,3-4,9-10,15-16,20,24-25,27,29-35H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,18-17-,22-19-,23-21-,28-26-/t36-,37+,40-,41-,42+,43+/m1/s1 |
| InChIKey | ZUMRLLQCQWMBIK-TUDGWKSTSA-N |
| Literature Reference Author | Z.FANG,Y.JEONG,H.A.JUNG,J.S.CHOI,B.S.MIN,M.H.WOO |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,1351(2012) |
| Literature Reference DOI | 10.1248/cpb.c12-00268 |
| Molecular Weight | 742.991 g/mol |
| Source File Reference | UWBT4622 |