| Properties | Image |
|---|
| MNX_ID | MNXM101629 |
 |
| reference | chebi:68915 |
| formula | C30H40O9 |
| global charge | 0 |
| mol weight | 544.641 |
| InChIKey | IWCKWAIXWURPAN-SQXHYVSRSA-N |
| InChI | InChI=1S/C30H40O9/c1-14(32)15-9-10-28(4)20-8-7-16-17(30(20,6)21(33)12-29(15,28)5)11-18(25(37)27(16,2)3)38-26-24(36)23(35)22(34)19(13-31)39-26/h7,9,11,17,19-20,22-24,26,31,34-36H,8,10,12-13H2,1-6H3/t17-,19-,20+,22-,23+,24-,26-,28+,29-,30+/m1/s1 |
| SMILES | CC(=O)C1=CC[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C30H40O9/c1-14(32)15-9-10-28(4)20-8-7-16-17(30(20,6)21(33)12-29(15,28)5)11-18(25(37)27(16,2)3)38-26-24(36)23(35)22(34)19(13-31)39-26/h7,9,11,17,19-20,22-24,26,31,34-36H,8,10,12-13H2,1-6H3/t17-,19-,20+,22-,23+,24-,26-,28+,29-,30+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:14]([C:15]1=[CH:9][CH2:10][C@@:28]2([CH3:4])[C@@H:20]3[CH2:8][CH:7]=[C:16]4[C@@H:17]([CH:11]=[C:18]([O:38][C@H:26]5[C@H:24]([OH:36])[C@@H:23]([OH:35])[C@H:22]([OH:34])[C@@H:19]([CH2:13][OH:31])[O:39]5)[C:25](=[O:37])[C:27]4([CH3:2])[CH3:3])[C@:30]3([CH3:6])[C:21](=[O:33])[CH2:12][C@:29]12[CH3:5])=[O:32] |
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