| Properties | Image |
|---|
| MNX_ID | MNXM44412 |
 |
| reference | lipidmapsM:LMPR04000030 |
| formula | C32H54O2 |
| global charge | 0 |
| mol weight | 470.782 |
| InChIKey | USTPZHFXAFRQMM-QORHXXSCSA-N |
| InChI | InChI=1S/C32H54O2/c1-21(9-12-27(33)34)22-13-18-29(4)23(22)14-19-31(6)25(29)10-11-26-30(5)17-8-16-28(2,3)24(30)15-20-32(26,31)7/h21-26H,8-20H2,1-7H3,(H,33,34)/t21?,22-,23+,24+,25-,26-,29+,30+,31-,32-/m1/s1 |
| SMILES | CC(CCC(=O)O)[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12 |
MNX internals
| InChI (mnx) | InChI=1/C32H54O2/c1-21(9-12-27(33)34)22-13-18-29(4)23(22)14-19-31(6)25(29)10-11-26-30(5)17-8-16-28(2,3)24(30)15-20-32(26,31)7/h21-26H,8-20H2,1-7H3,(H,33,34)/t21?,22-,23+,24+,25-,26-,29+,30+,31-,32-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:21]([CH2:9][CH2:12][C:27](=[O:33])[OH:34])[C@H:22]1[CH2:13][CH2:18][C@@:29]2([CH3:4])[C@H:23]1[CH2:14][CH2:19][C@:31]1([CH3:6])[C@@H:25]2[CH2:10][CH2:11][C@@H:26]2[C@@:30]3([CH3:5])[CH2:17][CH2:8][CH2:16][C:28]([CH3:2])([CH3:3])[C@@H:24]3[CH2:15][CH2:20][C@:32]21[CH3:7] |
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