| Properties | Image |
|---|
| MNX_ID | MNXM113984 |
 |
| reference | chebi:66337 |
| formula | C32H42O9 |
| global charge | 0 |
| mol weight | 570.679 |
| InChIKey | MCBIVWOLAJXDRK-JFEOFFBYSA-N |
| InChI | InChI=1S/C32H42O9/c1-8-17(2)27(35)40-26-19-15-31-20(30(6,32(19,36)41-31)21(28(26,3)4)13-23(33)37-7)9-11-29(5)22(31)14-24(34)39-25(29)18-10-12-38-16-18/h8,10,12,16,19-22,25-26,36H,9,11,13-15H2,1-7H3/b17-8+/t19?,20-,21+,22-,25+,26+,29-,30-,31-,32+/m1/s1 |
| SMILES | C/C=C(\C)C(=O)O[C@H]1C2C[C@@]34O[C@]2(O)[C@@](C)([C@@H](CC(=O)OC)C1(C)C)[C@H]3CC[C@]1(C)[C@H]4CC(=O)O[C@H]1C1=COC=C1 |
MNX internals
| InChI (mnx) | InChI=1/C32H42O9/c1-8-17(2)27(35)40-26-19-15-31-20(30(6,32(19,36)41-31)21(28(26,3)4)13-23(33)37-7)9-11-29(5)22(31)14-24(34)39-25(29)18-10-12-38-16-18/h8,10,12,16,19-22,25-26,36H,9,11,13-15H2,1-7H3/b17-8+/t19?,20-,21+,22-,25+,26+,29-,30-,31-,32+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[CH:8]=[C:17](\[CH3:2])[C:27](=[O:35])[O:40][C@H:26]1[CH:19]2[CH2:15][C@@:31]34[C@H:20]([CH2:9][CH2:11][C@:29]5([CH3:5])[C@H:22]3[CH2:14][C:24](=[O:34])[O:39][C@H:25]5[C:18]3=[CH:16][O:38][CH:12]=[CH:10]3)[C@:30]([CH3:6])([C@@H:21]([CH2:13][C:23](=[O:33])[O:37][CH3:7])[C:28]1([CH3:3])[CH3:4])[C@@:32]2([OH:36])[O:41]4 |
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