| Properties | Image |
|---|
| MNX_ID | MNXM101428 |
 |
| reference | chebi:67470 |
| formula | C28H42O10 |
| global charge | 0 |
| mol weight | 538.634 |
| InChIKey | SGUPXQYJFIEPOK-ZJADYXILSA-N |
| InChI | InChI=1S/C28H42O10/c1-14(2)24(32)36-20-8-7-19-26(6,21-10-18-11-23(31)38-25(18)37-21)15(3)9-22(35-17(5)30)27(19,12-33-16(4)29)28(20)13-34-28/h14-15,18-23,25,31H,7-13H2,1-6H3/t15-,18+,19-,20+,21+,22+,23?,25-,26+,27+,28-/m1/s1 |
| SMILES | CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)([C@@H]3C[C@H]4CC(O)O[C@H]4O3)[C@H]1CC[C@H](OC(=O)C(C)C)[C@]21CO1 |
MNX internals
| InChI (mnx) | InChI=1/C28H42O10/c1-14(2)24(32)36-20-8-7-19-26(6,21-10-18-11-23(31)38-25(18)37-21)15(3)9-22(35-17(5)30)27(19,12-33-16(4)29)28(20)13-34-28/h14-15,18-23,25,31H,7-13H2,1-6H3/t15-,18+,19-,20+,21+,22+,23?,25-,26+,27+,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:14]([CH3:2])[C:24](=[O:32])[O:36][C@H:20]1[CH2:8][CH2:7][C@@H:19]2[C@@:26]([CH3:6])([C@@H:21]3[CH2:10][C@H:18]4[CH2:11][CH:23]([OH:31])[O:38][C@H:25]4[O:37]3)[C@H:15]([CH3:3])[CH2:9][C@H:22]([O:35][C:17]([CH3:5])=[O:30])[C@@:27]2([CH2:12][O:33][C:16]([CH3:4])=[O:29])[C@@:28]12[CH2:13][O:34]2 |
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