| Properties | Image |
|---|
| MNX_ID | MNXM6936 |
 |
| reference | keggC:C11970 |
| formula | C34H48O9 |
| global charge | 0 |
| mol weight | 600.749 |
| InChIKey | AWFYDDCOWUMYCB-ILCSDPHRSA-N |
| InChI | InChI=1S/C34H48O9/c1-7-18(2)30-22(6)27(35)16-33(43-30)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-29(37)21(5)13-26(32(38)41-25)34(23,31)39/h8-11,13,18-19,22,24-28,30-31,35-36,39H,7,12,14-17H2,1-6H3/b9-8+,20-11+,23-10+/t18?,19-,22-,24+,25-,26-,27-,28-,30+,31+,33-,34+/m0/s1 |
| SMILES | CCC(C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C/C=C(\C)[C@@H](O)[C@@H](C)/C=C/C=C4\CO[C@@H]5C(=O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)C[C@H](O)[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C34H48O9/c1-7-18(2)30-22(6)27(35)16-33(43-30)15-25-14-24(42-33)12-11-20(4)28(36)19(3)9-8-10-23-17-40-31-29(37)21(5)13-26(32(38)41-25)34(23,31)39/h8-11,13,18-19,22,24-28,30-31,35-36,39H,7,12,14-17H2,1-6H3/b9-8+,20-11+,23-10+/t18?,19-,22-,24+,25-,26-,27-,28-,30+,31+,33-,34+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:7][CH:18]([CH3:2])[C@@H:30]1[C@@H:22]([CH3:6])[C@@H:27]([OH:35])[CH2:16][C@:33]2([CH2:15][C@@H:25]3[CH2:14][C@@H:24]([CH2:12]/[CH:11]=[C:20](\[CH3:4])[C@@H:28]([OH:36])[C@@H:19]([CH3:3])/[CH:9]=[CH:8]/[CH:10]=[C:23]4\[CH2:17][O:40][C@@H:31]5[C:29](=[O:37])[C:21]([CH3:5])=[CH:13][C@@H:26]([C:32](=[O:38])[O:41]3)[C@:34]45[OH:39])[O:42]2)[O:43]1 |
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