| Properties | Image |
|---|
| MNX_ID | MNXM25735 |
 |
| reference | lipidmapsM:LMST01031067 |
| formula | C28H46O3 |
| global charge | 0 |
| mol weight | 430.673 |
| InChIKey | ASVPJZYKMFULLZ-PUCLLVMASA-N |
| InChI | InChI=1S/C28H46O3/c1-17(2)18(3)6-7-19(4)22-8-9-23-26-24(11-12-27(22,23)5)28(16-29)13-10-21(30)14-20(28)15-25(26)31/h15,17,19,21-26,29-31H,3,6-14,16H2,1-2,4-5H3/t19-,21+,22-,23+,24+,25+,26+,27-,28-/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C)C(C)C |
MNX internals
| InChI (mnx) | InChI=1/C28H46O3/c1-17(2)18(3)6-7-19(4)22-8-9-23-26-24(11-12-27(22,23)5)28(16-29)13-10-21(30)14-20(28)15-25(26)31/h15,17,19,21-26,29-31H,3,6-14,16H2,1-2,4-5H3/t19-,21+,22-,23+,24+,25+,26+,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:17]([CH3:2])[C:18](=[CH2:3])[CH2:6][CH2:7][C@@H:19]([CH3:4])[C@H:22]1[CH2:8][CH2:9][C@H:23]2[C@H:26]3[C@H:24]([CH2:11][CH2:12][C@:27]12[CH3:5])[C@@:28]1([CH2:16][OH:29])[CH2:13][CH2:10][C@H:21]([OH:30])[CH2:14][C:20]1=[CH:15][C@@H:25]3[OH:31] |
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