| Properties | Image |
|---|
| MNX_ID | MNXM102216 |
 |
| reference | chebi:66402 |
| formula | C33H36O9 |
| global charge | 0 |
| mol weight | 576.642 |
| InChIKey | DHCUJGJZVIRMQU-ZZBIGSJJSA-N |
| InChI | InChI=1S/C33H36O9/c1-15(2)8-9-18-23-17(11-12-29(4,5)39-23)21(34)20-24(18)40-33-27-22(35)19(26-32(33,42-26)25(20)36)14-31(33,30(6,7)41-27)13-10-16(3)28(37)38/h8,10-12,19,26-27,34H,9,13-14H2,1-7H3,(H,37,38)/b16-10-/t19-,26?,27+,31+,32?,33+/m1/s1 |
| SMILES | CC(C)=CCC1=C2OC(C)(C)C=CC2=C(O)C2=C1O[C@@]13[C@H]4OC(C)(C)[C@]1(C/C=C(/C)C(=O)O)C[C@H](C4=O)C1OC13C2=O |
MNX internals
| InChI (mnx) | InChI=1/C33H36O9/c1-15(2)8-9-18-23-17(11-12-29(4,5)39-23)21(34)20-24(18)40-33-27-22(35)19(26-32(33,42-26)25(20)36)14-31(33,30(6,7)41-27)13-10-16(3)28(37)38/h8,10-12,19,26-27,34H,9,13-14H2,1-7H3,(H,37,38)/b16-10-/t19-,26?,27+,31+,32?,33+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:15]([CH3:2])=[CH:8][CH2:9][C:18]1=[C:24]2[C:20](=[C:21]([OH:34])[C:17]3=[C:23]1[O:39][C:29]([CH3:4])([CH3:5])[CH:12]=[CH:11]3)[C:25](=[O:36])[C:32]13[CH:26]([C@@H:19]4[CH2:14][C@@:31]5([CH2:13]/[CH:10]=[C:16](/[CH3:3])[C:28](=[O:37])[OH:38])[C:30]([CH3:6])([CH3:7])[O:41][C@@H:27]([C:22]4=[O:35])[C@:33]51[O:40]2)[O:42]3 |
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