| Properties | Image |
|---|
| MNX_ID | MNXM1131333 |
 |
| reference | lipidmapsM:LMPR0106180017 |
| formula | C31H50O6 |
| global charge | 0 |
| mol weight | 518.735 |
| InChIKey | TXJQTZQVBOZFPM-MXJSZYKRSA-N |
| InChI | InChI=1S/C31H50O6/c1-19-9-14-30(25(35)37-6)16-15-27(3)20(24(30)29(19,5)36)7-8-21-26(2)12-11-23(34)31(17-32,18-33)22(26)10-13-28(21,27)4/h7,19,21-24,32-34,36H,8-18H2,1-6H3/t19-,21-,22-,23+,24-,26-,27-,28-,29-,30+/m1/s1 |
| SMILES | COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(CO)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |
MNX internals
| InChI (mnx) | InChI=1/C31H50O6/c1-19-9-14-30(25(35)37-6)16-15-27(3)20(24(30)29(19,5)36)7-8-21-26(2)12-11-23(34)31(17-32,18-33)22(26)10-13-28(21,27)4/h7,19,21-24,32-34,36H,8-18H2,1-6H3/t19-,21-,22-,23+,24-,26-,27-,28-,29-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:19]1[CH2:9][CH2:14][C@:30]2([C:25](=[O:35])[O:37][CH3:6])[CH2:16][CH2:15][C@:27]3([CH3:3])[C:20](=[CH:7][CH2:8][C@@H:21]4[C@@:26]5([CH3:2])[CH2:12][CH2:11][C@H:23]([OH:34])[C:31]([CH2:17][OH:32])([CH2:18][OH:33])[C@@H:22]5[CH2:10][CH2:13][C@:28]43[CH3:4])[C@@H:24]2[C@:29]1([CH3:5])[OH:36] |
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