| Properties | Image |
|---|
| MNX_ID | MNXM106537 |
 |
| reference | chebi:70527 |
| formula | C31H48O6 |
| global charge | 0 |
| mol weight | 516.719 |
| InChIKey | UXDZXRKJSZVQHR-GEMWEJHDSA-N |
| InChI | InChI=1S/C31H48O6/c1-27(2,37-35)15-9-10-19(26(34)36-8)25-22(32)18-31(7)21-11-12-23-28(3,4)24(33)14-16-29(23,5)20(21)13-17-30(25,31)6/h9,11,15,19-20,22-23,25,32,35H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,25-,29-,30+,31-/m1/s1 |
| SMILES | COC(=O)[C@H](C/C=C/C(C)(C)OO)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C |
MNX internals
| InChI (mnx) | InChI=1/C31H48O6/c1-27(2,37-35)15-9-10-19(26(34)36-8)25-22(32)18-31(7)21-11-12-23-28(3,4)24(33)14-16-29(23,5)20(21)13-17-30(25,31)6/h9,11,15,19-20,22-23,25,32,35H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,25-,29-,30+,31-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:27]([CH3:2])(/[CH:15]=[CH:9]/[CH2:10][C@H:19]([C@@H:25]1[C@@H:22]([OH:32])[CH2:18][C@:31]2([CH3:7])[C:21]3=[CH:11][CH2:12][C@H:23]4[C:28]([CH3:3])([CH3:4])[C:24](=[O:33])[CH2:14][CH2:16][C@:29]4([CH3:5])[C@H:20]3[CH2:13][CH2:17][C@@:30]12[CH3:6])[C:26](=[O:34])[O:36][CH3:8])[O:37][OH:35] |
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