| Properties | Image |
|---|
| MNX_ID | MNXM105030 |
 |
| reference | chebi:69720 |
| formula | C36H46O11 |
| global charge | 0 |
| mol weight | 654.753 |
| InChIKey | RYJRDCDFSSCHGB-FISGQSFRSA-N |
| InChI | InChI=1S/C36H46O11/c1-9-25(40)45-28-18(2)16-36(47-21(5)39)27(28)30(44-20(4)38)35-17-42-34(8,32(36)46-31(41)22-13-11-10-12-14-22)29(35)26-23(33(26,6)7)15-24(35)43-19(3)37/h10-14,18,23-24,26-30,32H,9,15-17H2,1-8H3/t18-,23-,24+,26-,27+,28-,29-,30+,32?,34?,35+,36+/m0/s1 |
| SMILES | CCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@@]34CO[C@@](C)(C(OC(=O)C5=CC=CC=C5)[C@@]2(OC(C)=O)C[C@@H]1C)[C@@H]3[C@@H]1[C@H](C[C@H]4OC(C)=O)C1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C36H46O11/c1-9-25(40)45-28-18(2)16-36(47-21(5)39)27(28)30(44-20(4)38)35-17-42-34(8,32(36)46-31(41)22-13-11-10-12-14-22)29(35)26-23(33(26,6)7)15-24(35)43-19(3)37/h10-14,18,23-24,26-30,32H,9,15-17H2,1-8H3/t18-,23-,24+,26-,27+,28-,29-,30+,32?,34?,35+,36+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:9][C:25](=[O:40])[O:45][C@H:28]1[C@@H:18]([CH3:2])[CH2:16][C@@:36]2([O:47][C:21]([CH3:5])=[O:39])[C@H:27]1[C@@H:30]([O:44][C:20]([CH3:4])=[O:38])[C@@:35]13[CH2:17][O:42][C:34]([CH3:8])([C@@H:29]1[C@@H:26]1[C@H:23]([CH2:15][C@H:24]3[O:43][C:19]([CH3:3])=[O:37])[C:33]1([CH3:6])[CH3:7])[CH:32]2[O:46][C:31]([C:22]1=[CH:13][CH:11]=[CH:10][CH:12]=[CH:14]1)=[O:41] |
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