| Properties | Image |
|---|
| MNX_ID | MNXM1108523 |
 |
| reference | biggM:M01989 |
| formula | C26H43NO5 |
| global charge | 0 |
| mol weight | 449.632 |
| InChIKey | WVULKSPCQVQLCU-VISDZUFVSA-N |
| InChI | InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16?,17-,18?,19?,20?,21?,22+,25+,26-/m1/s1 |
| SMILES | C[C@H](CCC(=O)NCC(=O)O)C1CCC2C3CCC4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@@]21C |
MNX internals
| InChI (mnx) | InChI=1/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16?,17-,18?,19?,20?,21?,22+,25+,26-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:15]([CH2:4][CH2:9][C:23](=[N:27][CH2:14][C:24](=[O:31])[OH:32])[OH:30])[CH:19]1[CH2:7][CH2:8][CH:20]2[CH:18]3[CH2:6][CH2:5][CH:16]4[CH2:12][C@H:17]([OH:28])[CH2:10][CH2:11][C@:25]4([CH3:2])[CH:21]3[CH2:13][C@H:22]([OH:29])[C@:26]12[CH3:3] |
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