| Properties | Image |
|---|
| MNX_ID | MNXM23233 |
 |
| reference | lipidmapsM:LMST01080060 |
| formula | C39H62O15 |
| global charge | 0 |
| mol weight | 770.91 |
| InChIKey | KEWAHQWVFSGTLJ-ZWLDLXBBSA-N |
| InChI | InChI=1S/C39H62O15/c1-16-10-26(42)39(49-15-16)18(3)38(48)27(54-39)13-23-21-7-6-19-11-20(8-9-36(19,4)22(21)12-25(41)37(23,38)5)51-35-33(31(46)29(44)24(14-40)52-35)53-34-32(47)30(45)28(43)17(2)50-34/h6,16-18,20-35,40-48H,7-15H2,1-5H3/t16-,17+,18+,20+,21-,22+,23+,24-,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-,36+,37-,38-,39+/m1/s1 |
| SMILES | C[C@H]1CO[C@@]2(O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5C[C@H](O)[C@]4(C)[C@@]3(O)[C@@H]2C)[C@H](O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C39H62O15/c1-16-10-26(42)39(49-15-16)18(3)38(48)27(54-39)13-23-21-7-6-19-11-20(8-9-36(19,4)22(21)12-25(41)37(23,38)5)51-35-33(31(46)29(44)24(14-40)52-35)53-34-32(47)30(45)28(43)17(2)50-34/h6,16-18,20-35,40-48H,7-15H2,1-5H3/t16-,17+,18+,20+,21-,22+,23+,24-,25+,26-,27+,28+,29-,30-,31+,32-,33-,34+,35-,36+,37-,38-,39+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:16]1[CH2:10][C@@H:26]([OH:42])[C@@:39]2([C@@H:18]([CH3:3])[C@@:38]3([OH:48])[C@H:27]([CH2:13][C@H:23]4[C@@H:21]5[CH2:7][CH:6]=[C:19]6[CH2:11][C@@H:20]([O:51][C@H:35]7[C@H:33]([O:53][C@H:34]8[C@H:32]([OH:47])[C@H:30]([OH:45])[C@@H:28]([OH:43])[C@H:17]([CH3:2])[O:50]8)[C@@H:31]([OH:46])[C@H:29]([OH:44])[C@@H:24]([CH2:14][OH:40])[O:52]7)[CH2:8][CH2:9][C@:36]6([CH3:4])[C@H:22]5[CH2:12][C@H:25]([OH:41])[C@@:37]43[CH3:5])[O:54]2)[O:49][CH2:15]1 |
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