| Properties | Image |
|---|
| MNX_ID | MNXM113740 |
 |
| reference | chebi:66834 |
| formula | C28H36O9 |
| global charge | 0 |
| mol weight | 516.587 |
| InChIKey | BGJHHQRHKDDKIR-OKPVOZINSA-N |
| InChI | InChI=1S/C28H36O9/c1-15-13-21(33-16(2)29)24(35-18(4)31)27(7)22(36-25(32)19-11-9-8-10-12-19)14-20-23(34-17(3)30)28(15,27)37-26(20,5)6/h8-12,15,20-24H,13-14H2,1-7H3/t15-,20-,21+,22+,23-,24+,27-,28-/m1/s1 |
| SMILES | CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)C4=CC=CC=C4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C28H36O9/c1-15-13-21(33-16(2)29)24(35-18(4)31)27(7)22(36-25(32)19-11-9-8-10-12-19)14-20-23(34-17(3)30)28(15,27)37-26(20,5)6/h8-12,15,20-24H,13-14H2,1-7H3/t15-,20-,21+,22+,23-,24+,27-,28-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:15]1[CH2:13][C@H:21]([O:33][C:16]([CH3:2])=[O:29])[C@H:24]([O:35][C:18]([CH3:4])=[O:31])[C@@:27]2([CH3:7])[C@@H:22]([O:36][C:25]([C:19]3=[CH:11][CH:9]=[CH:8][CH:10]=[CH:12]3)=[O:32])[CH2:14][C@@H:20]3[C@@H:23]([O:34][C:17]([CH3:3])=[O:30])[C@:28]12[O:37][C:26]3([CH3:5])[CH3:6] |
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