| Properties | Image |
|---|
| MNX_ID | MNXM740416 |
 |
| reference | metacycM:CPD-14523 |
| formula | C35H60O4 |
| global charge | 0 |
| mol weight | 544.861 |
| InChIKey | AGSPYXOEGPQCDH-FUINJVNZSA-N |
| InChI | InChI=1S/C35H60O4/c1-21(9-10-24-28(36)29(37)30(38)39-24)22-13-18-32(4)23(22)14-19-34(6)26(32)11-12-27-33(5)17-8-16-31(2,3)25(33)15-20-35(27,34)7/h21-30,36-38H,8-20H2,1-7H3/t21?,22?,23?,24?,25?,26?,27?,28-,29-,30-,32+,33+,34-,35-/m1/s1 |
| SMILES | CC(CCC1O[C@@H](O)[C@H](O)[C@@H]1O)C1CC[C@@]2(C)C1CC[C@]1(C)C2CCC2[C@@]3(C)CCCC(C)(C)C3CC[C@]21C |
MNX internals
| InChI (mnx) | InChI=1/C35H60O4/c1-21(9-10-24-28(36)29(37)30(38)39-24)22-13-18-32(4)23(22)14-19-34(6)26(32)11-12-27-33(5)17-8-16-31(2,3)25(33)15-20-35(27,34)7/h21-30,36-38H,8-20H2,1-7H3/t21?,22?,23?,24?,25?,26?,27?,28-,29-,30-,32+,33+,34-,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:21]([CH2:9][CH2:10][CH:24]1[C@@H:28]([OH:36])[C@@H:29]([OH:37])[C@H:30]([OH:38])[O:39]1)[CH:22]1[CH2:13][CH2:18][C@@:32]2([CH3:4])[CH:23]1[CH2:14][CH2:19][C@:34]1([CH3:6])[CH:26]2[CH2:11][CH2:12][CH:27]2[C@@:33]3([CH3:5])[CH2:17][CH2:8][CH2:16][C:31]([CH3:2])([CH3:3])[CH:25]3[CH2:15][CH2:20][C@:35]21[CH3:7] |
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