| Properties | Image |
|---|
| MNX_ID | MNXM106627 |
 |
| reference | chebi:69214 |
| formula | C29H49NO8 |
| global charge | 0 |
| mol weight | 539.71 |
| InChIKey | RYWKXTITOBZASH-DZOJKPGOSA-N |
| InChI | InChI=1S/C29H49NO8/c1-8-10-11-12-13-14-16-20(4)24(31)21(5)26(32)30-18-15-17-23(30)28(34)38-25(19(3)9-2)29(35)37-22(6)27(33)36-7/h16,19,21-25,31H,8-15,17-18H2,1-7H3/b20-16+/t19-,21+,22-,23-,24+,25+/m0/s1 |
| SMILES | CCCCCCC/C=C(\C)[C@@H](O)[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O[C@@H](C(=O)O[C@@H](C)C(=O)OC)[C@@H](C)CC |
MNX internals
| InChI (mnx) | InChI=1/C29H49NO8/c1-8-10-11-12-13-14-16-20(4)24(31)21(5)26(32)30-18-15-17-23(30)28(34)38-25(19(3)9-2)29(35)37-22(6)27(33)36-7/h16,19,21-25,31H,8-15,17-18H2,1-7H3/b20-16+/t19-,21+,22-,23-,24+,25+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:8][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:16]=[C:20](\[CH3:4])[C@H:24]([C@@H:21]([CH3:5])[C:26]([N:30]1[CH2:18][CH2:15][CH2:17][C@H:23]1[C:28](=[O:34])[O:38][C@H:25]([C@@H:19]([CH3:3])[CH2:9][CH3:2])[C:29](=[O:35])[O:37][C@@H:22]([CH3:6])[C:27](=[O:33])[O:36][CH3:7])=[O:32])[OH:31] |
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