| Properties | Image |
|---|
| MNX_ID | MNXM25563 |
 |
| reference | lipidmapsM:LMST01010348 |
| formula | C33H54O6 |
| global charge | 0 |
| mol weight | 546.789 |
| InChIKey | QSPACSWMSZHXLY-UQBZCTSOSA-N |
| InChI | InChI=1S/C33H54O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h7,9,20,22-31,34-37H,6,8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1 |
| SMILES | CC(C)=CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C33H54O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h7,9,20,22-31,34-37H,6,8,10-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+,30-,31-,32+,33-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:19]([CH3:2])=[CH:7][CH2:6][CH2:8][C@@H:20]([CH3:3])[C@H:24]1[CH2:11][CH2:12][C@H:25]2[C@@H:23]3[CH2:10][CH:9]=[C:21]4[CH2:17][C@@H:22]([O:38][C@H:31]5[C@H:30]([OH:37])[C@@H:29]([OH:36])[C@H:28]([OH:35])[C@@H:27]([CH2:18][OH:34])[O:39]5)[CH2:13][CH2:15][C@:32]4([CH3:4])[C@H:26]3[CH2:14][CH2:16][C@:33]12[CH3:5] |
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