| Properties | Image |
|---|
| MNX_ID | MNXM101614 |
 |
| reference | chebi:66833 |
| formula | C35H40O11 |
| global charge | 0 |
| mol weight | 636.694 |
| InChIKey | NDGSLRUFUIEVLM-HDWLWNEUSA-N |
| InChI | InChI=1S/C35H40O11/c1-20-17-27(44-31(39)24-13-9-7-10-14-24)30(43-23(4)38)34(19-41-21(2)36)28(45-32(40)25-15-11-8-12-16-25)18-26-29(42-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1 |
| SMILES | CC(=O)OC[C@]12[C@@H](OC(=O)C3=CC=CC=C3)C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@H](C)C[C@H](OC(=O)C1=CC=CC=C1)[C@@H]2OC(C)=O |
MNX internals
| InChI (mnx) | InChI=1/C35H40O11/c1-20-17-27(44-31(39)24-13-9-7-10-14-24)30(43-23(4)38)34(19-41-21(2)36)28(45-32(40)25-15-11-8-12-16-25)18-26-29(42-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:20]1[CH2:17][C@H:27]([O:44][C:31]([C:24]2=[CH:13][CH:9]=[CH:7][CH:10]=[CH:14]2)=[O:39])[C@H:30]([O:43][C:23]([CH3:4])=[O:38])[C@@:34]2([CH2:19][O:41][C:21]([CH3:2])=[O:36])[C@@H:28]([O:45][C:32]([C:25]3=[CH:15][CH:11]=[CH:8][CH:12]=[CH:16]3)=[O:40])[CH2:18][C@@H:26]3[C@@H:29]([O:42][C:22]([CH3:3])=[O:37])[C@:35]12[O:46][C:33]3([CH3:5])[CH3:6] |
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