| Properties | Image |
|---|
| MNX_ID | MNXM108614 |
 |
| reference | chebi:69500 |
| formula | C32H52O5 |
| global charge | 0 |
| mol weight | 516.763 |
| InChIKey | XLTANSFXBPNHCI-WVPSKIRCSA-N |
| InChI | InChI=1S/C32H52O5/c1-18(2)21-15-22(35)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-33)23(37-19(3)34)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,33,35-36H,10-17H2,1-8H3/t21-,22+,23-,24-,25-,26-,27+,29+,30-,31+,32+/m0/s1 |
| SMILES | CC(=O)O[C@H]1C[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C2=CC[C@]3(C)[C@H]4[C@H](O)C[C@@H](C(C)C)[C@]4(CO)CC[C@@]3(C)[C@@H]21 |
MNX internals
| InChI (mnx) | InChI=1/C32H52O5/c1-18(2)21-15-22(35)27-31(8)12-9-20-26(30(31,7)13-14-32(21,27)17-33)23(37-19(3)34)16-24-28(4,5)25(36)10-11-29(20,24)6/h9,18,21-27,33,35-36H,10-17H2,1-8H3/t21-,22+,23-,24-,25-,26-,27+,29+,30-,31+,32+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:18]([CH3:2])[C@@H:21]1[CH2:15][C@@H:22]([OH:35])[C@@H:27]2[C@@:31]3([CH3:8])[CH2:12][CH:9]=[C:20]4[C@@H:26]([C@@H:23]([O:37][C:19]([CH3:3])=[O:34])[CH2:16][C@H:24]5[C:28]([CH3:4])([CH3:5])[C@@H:25]([OH:36])[CH2:10][CH2:11][C@:29]45[CH3:6])[C@:30]3([CH3:7])[CH2:13][CH2:14][C@@:32]12[CH2:17][OH:33] |
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