| Properties | Image |
|---|
| MNX_ID | MNXM107128 |
 |
| reference | chebi:71383 |
| formula | C42H83NO3 |
| global charge | 0 |
| mol weight | 650.13 |
| InChIKey | XPHMRRRAQQSFAN-LLEHJKNRSA-N |
| InChI | InChI=1S/C42H83NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-42(46)43-40(38-44)41(45)36-33-30-27-24-22-23-26-29-32-35-39(2)3/h33,36,39-41,44-45H,4-32,34-35,37-38H2,1-3H3,(H,43,46)/b36-33+/t40-,41+/m0/s1 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C |
MNX internals
| InChI (mnx) | InChI=1/C42H83NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31-34-37-42(46)43-40(38-44)41(45)36-33-30-27-24-22-23-26-29-32-35-39(2)3/h33,36,39-41,44-45H,4-32,34-35,37-38H2,1-3H3,(H,43,46)/b36-33+/t40-,41+/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][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][C:42](=[N:43][C@@H:40]([CH2:38][OH:44])[C@@H:41](/[CH:36]=[CH:33]/[CH2:30][CH2:27][CH2:24][CH2:22][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH:39]([CH3:2])[CH3:3])[OH:45])[OH:46] |
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