| Properties | Image |
|---|
| MNX_ID | MNXM97932 |
 |
| reference | metacycM:CPDQT-523 |
| formula | C34H58O11 |
| global charge | 0 |
| mol weight | 642.827 |
| InChIKey | ZGXCUMDOLQMEFX-GFSZBVRDSA-N |
| InChI | InChI=1S/C34H58O11/c1-15(2)16(3)30(45-32-29(41)28(40)27(39)25(13-35)44-32)26(38)17(4)19-7-8-20-18-14-43-31(42)22-11-23(36)24(37)12-34(22,6)21(18)9-10-33(19,20)5/h15-30,32,35-41H,7-14H2,1-6H3/t16-,17-,18?,19?,20-,21?,22+,23-,24+,25+,26+,27+,28-,29+,30+,32+,33+,34+/m0/s1 |
| SMILES | CC(C)[C@H](C)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](C)C1CC[C@H]2C3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)C3CC[C@]12C |
MNX internals
| InChI (mnx) | InChI=1/C34H58O11/c1-15(2)16(3)30(45-32-29(41)28(40)27(39)25(13-35)44-32)26(38)17(4)19-7-8-20-18-14-43-31(42)22-11-23(36)24(37)12-34(22,6)21(18)9-10-33(19,20)5/h15-30,32,35-41H,7-14H2,1-6H3/t16-,17-,18?,19?,20-,21?,22+,23-,24+,25+,26+,27+,28-,29+,30+,32+,33+,34+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:15]([CH3:2])[C@H:16]([CH3:3])[C@H:30]([C@@H:26]([C@@H:17]([CH3:4])[CH:19]1[CH2:7][CH2:8][C@H:20]2[CH:18]3[CH2:14][O:43][C:31](=[O:42])[C@H:22]4[CH2:11][C@H:23]([OH:36])[C@H:24]([OH:37])[CH2:12][C@:34]4([CH3:6])[CH:21]3[CH2:9][CH2:10][C@:33]12[CH3:5])[OH:38])[O:45][C@@H:32]1[C@H:29]([OH:41])[C@@H:28]([OH:40])[C@H:27]([OH:39])[C@@H:25]([CH2:13][OH:35])[O:44]1 |
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