| Properties | Image |
|---|
| MNX_ID | MNXM36844 |
 |
| reference | chebi:87087 |
| formula | C35H63NO4 |
| global charge | 0 |
| mol weight | 561.892 |
| InChIKey | DHHKTEPKISBNFR-RGFQUCLPSA-N |
| InChI | InChI=1S/C35H63NO4/c1-21(19-24(37)29(39)30(40)25(38)20-36)22-11-16-32(4)23(22)12-17-34(6)27(32)9-10-28-33(5)15-8-14-31(2,3)26(33)13-18-35(28,34)7/h21-30,37-40H,8-20,36H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,32+,33+,34-,35-/m1/s1 |
| SMILES | C[C@H](C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CN)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C35H63NO4/c1-21(19-24(37)29(39)30(40)25(38)20-36)22-11-16-32(4)23(22)12-17-34(6)27(32)9-10-28-33(5)15-8-14-31(2,3)26(33)13-18-35(28,34)7/h21-30,37-40H,8-20,36H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,32+,33+,34-,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:21]([CH2:19][C@H:24]([C@H:29]([C@H:30]([C@H:25]([CH2:20][NH2:36])[OH:38])[OH:40])[OH:39])[OH:37])[C@H:22]1[CH2:11][CH2:16][C@@:32]2([CH3:4])[C@H:23]1[CH2:12][CH2:17][C@:34]1([CH3:6])[C@@H:27]2[CH2:9][CH2:10][C@@H:28]2[C@@:33]3([CH3:5])[CH2:15][CH2:8][CH2:14][C:31]([CH3:2])([CH3:3])[C@@H:26]3[CH2:13][CH2:18][C@:35]21[CH3:7] |
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