| Properties | Image |
|---|
| MNX_ID | MNXM43257 |
 |
| reference | chebi:136940 |
| formula | C36H63NO5 |
| global charge | 0 |
| mol weight | 589.902 |
| InChIKey | IJJMTQSOTJFUOJ-VEJRBLLVSA-N |
| InChI | InChI=1S/C36H63NO5/c1-22(9-10-25(38)30(40)26(39)21-42-31(37)41)23-13-18-33(4)24(23)14-19-35(6)28(33)11-12-29-34(5)17-8-16-32(2,3)27(34)15-20-36(29,35)7/h22-30,38-40H,8-21H2,1-7H3,(H2,37,41)/t22?,23?,24?,25?,26?,27?,28?,29?,30?,33-,34-,35+,36+/m0/s1 |
| SMILES | CC(CCC(O)C(O)C(O)COC(N)=O)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C |
MNX internals
| InChI (mnx) | InChI=1/C36H63NO5/c1-22(9-10-25(38)30(40)26(39)21-42-31(37)41)23-13-18-33(4)24(23)14-19-35(6)28(33)11-12-29-34(5)17-8-16-32(2,3)27(34)15-20-36(29,35)7/h22-30,38-40H,8-21H2,1-7H3,(H2,37,41)/t22?,23?,24?,25?,26?,27?,28?,29?,30?,33-,34-,35+,36+/m0/s1 |
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| SMILES (mnx) | [CH3:1][CH:22]([CH2:9][CH2:10][CH:25]([CH:30]([CH:26]([CH2:21][O:42][C:31](=[NH:37])[OH:41])[OH:39])[OH:40])[OH:38])[CH:23]1[CH2:13][CH2:18][C@@:33]2([CH3:4])[CH:24]1[CH2:14][CH2:19][C@:35]1([CH3:6])[CH:28]2[CH2:11][CH2:12][CH:29]2[C@@:34]3([CH3:5])[CH2:17][CH2:8][CH2:16][C:32]([CH3:2])([CH3:3])[CH:27]3[CH2:15][CH2:20][C@:36]21[CH3:7] |
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