| Properties | Image |
|---|
| MNX_ID | MNXM740414 |
 |
| reference | keggC:C21118 |
| formula | C35H60O4 |
| global charge | 0 |
| mol weight | 544.861 |
| InChIKey | AGSPYXOEGPQCDH-VBZHTKSESA-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 | C[C@H](CC[C@H]1OC(O)[C@H](O)[C@@H]1O)[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/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][C@H:21]([CH2:9][CH2:10][C@@H:24]1[C@@H:28]([OH:36])[C@@H:29]([OH:37])[CH:30]([OH:38])[O:39]1)[C@H:22]1[CH2:13][CH2:18][C@@:32]2([CH3:4])[C@H:23]1[CH2:14][CH2:19][C@:34]1([CH3:6])[C@@H:26]2[CH2:11][CH2:12][C@@H:27]2[C@@:33]3([CH3:5])[CH2:17][CH2:8][CH2:16][C:31]([CH3:2])([CH3:3])[C@@H:25]3[CH2:15][CH2:20][C@:35]21[CH3:7] |
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