| Properties | Image |
|---|
| MNX_ID | MNXM161149 |
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| reference | chebi:65971 |
| formula | C33H47NaO7 |
| global charge | 0 |
| mol weight | 578.722 |
| InChIKey | GMHCRJAKMQQTJB-RLOWDUIGSA-M |
| InChI | InChI=1S/C33H48O7.Na/c1-20(13-14-26(39-9)30(4,5)38)11-10-12-21(2)28-23(35)19-25-31(6)18-16-27(40-22(3)34)33(8,29(36)37)24(31)15-17-32(25,28)7;/h10-14,24-27,38H,15-19H2,1-9H3,(H,36,37);/q;+1/p-1/b12-10+,14-13+,20-11+,28-21+;/t24-,25+,26?,27-,31+,32+,33-;/m1./s1 |
| SMILES | COC(/C=C/C(C)=C/C=C/C(C)=C1\C(=O)C[C@H]2[C@@]3(C)CC[C@@H](OC(C)=O)[C@](C)(C(=O)[O-])[C@@H]3CC[C@]12C)C(C)(C)O.[Na+] |
MNX internals
| InChI (mnx) | InChI=1/C33H48O7.Na/c1-20(13-14-26(39-9)30(4,5)38)11-10-12-21(2)28-23(35)19-25-31(6)18-16-27(40-22(3)34)33(8,29(36)37)24(31)15-17-32(25,28)7;/h10-14,24-27,38H,15-19H2,1-9H3,(H,36,37);/q;+1/b12-10+,14-13+,20-11+,28-21+;/t24-,25+,26?,27-,31+,32+,33-;/m1./s1 |
 |
| SMILES (mnx) | [CH3:1][C:20](=[CH:11]\[CH:10]=[CH:12]\[C:21]([CH3:2])=[C:28]1/[C:23](=[O:35])[CH2:19][C@H:25]2[C@@:31]3([CH3:6])[CH2:18][CH2:16][C@@H:27]([O:40][C:22]([CH3:3])=[O:34])[C@:33]([CH3:8])([C:29](=[O:36])[OH:37])[C@@H:24]3[CH2:15][CH2:17][C@@:32]21[CH3:7])/[CH:13]=[CH:14]/[CH:26]([C:30]([CH3:4])([CH3:5])[OH:38])[O:39][CH3:9].[Na+:41] |
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