| Properties | Image |
|---|
| MNX_ID | MNXM107110 |
 |
| reference | chebi:71389 |
| formula | C45H89NO3 |
| global charge | 0 |
| mol weight | 692.211 |
| InChIKey | VSPLQWNGUCIQNF-UIIAJYLHSA-N |
| InChI | InChI=1S/C45H89NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34-37-40-45(49)46-43(41-47)44(48)39-36-33-30-27-25-26-29-32-35-38-42(2)3/h36,39,42-44,47-48H,4-35,37-38,40-41H2,1-3H3,(H,46,49)/b39-36+/t43-,44+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C45H89NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34-37-40-45(49)46-43(41-47)44(48)39-36-33-30-27-25-26-29-32-35-38-42(2)3/h36,39,42-44,47-48H,4-35,37-38,40-41H2,1-3H3,(H,46,49)/b39-36+/t43-,44+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][C:45](=[N:46][C@@H:43]([CH2:41][OH:47])[C@@H:44](/[CH:39]=[CH:36]/[CH2:33][CH2:30][CH2:27][CH2:25][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][CH:42]([CH3:2])[CH3:3])[OH:48])[OH:49] |
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