| Properties | Image |
|---|
| MNX_ID | MNXM25834 |
 |
| reference | lipidmapsM:LMST01080061 |
| formula | C39H62O15 |
| global charge | 0 |
| mol weight | 770.91 |
| InChIKey | OUMHCRRSFXHRBM-XAWPZYCTSA-N |
| InChI | InChI=1S/C39H62O15/c1-17-12-25(41)39(49-16-17)19(3)38(48)26(54-39)14-37(47)23-7-6-20-13-21(8-10-35(20,4)22(23)9-11-36(37,38)5)51-34-32(30(45)28(43)24(15-40)52-34)53-33-31(46)29(44)27(42)18(2)50-33/h6,17-19,21-34,40-48H,7-16H2,1-5H3/t17-,18+,19+,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@@]4(O)[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]5CC[C@]4(C)[C@@]3(O)[C@@H]2C)[C@H](O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C39H62O15/c1-17-12-25(41)39(49-16-17)19(3)38(48)26(54-39)14-37(47)23-7-6-20-13-21(8-10-35(20,4)22(23)9-11-36(37,38)5)51-34-32(30(45)28(43)24(15-40)52-34)53-33-31(46)29(44)27(42)18(2)50-33/h6,17-19,21-34,40-48H,7-16H2,1-5H3/t17-,18+,19+,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:17]1[CH2:12][C@@H:25]([OH:41])[C@@:39]2([C@@H:19]([CH3:3])[C@@:38]3([OH:48])[C@H:26]([CH2:14][C@@:37]4([OH:47])[C@@H:23]5[CH2:7][CH:6]=[C:20]6[CH2:13][C@@H:21]([O:51][C@H:34]7[C@H:32]([O:53][C@H:33]8[C@H:31]([OH:46])[C@H:29]([OH:44])[C@@H:27]([OH:42])[C@H:18]([CH3:2])[O:50]8)[C@@H:30]([OH:45])[C@H:28]([OH:43])[C@@H:24]([CH2:15][OH:40])[O:52]7)[CH2:8][CH2:10][C@:35]6([CH3:4])[C@H:22]5[CH2:9][CH2:11][C@@:36]43[CH3:5])[O:54]2)[O:49][CH2:16]1 |
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