| Properties | Image |
|---|
| MNX_ID | MNXM1181213 |
 |
| reference | envipathM:...5e1be013acb5 |
| formula | C30H42O13 |
| global charge | 0 |
| mol weight | 610.653 |
| InChIKey | SVIVMCFJNPNSEI-DMLKJXDASA-N |
| InChI | InChI=1S/C30H42O13/c1-13-5-17-27(9-31,21(37)19(13)35)25(3)7-15(33)23(41-17)29(25,10-32)43-40-11-28-18(6-14(2)20(36)22(28)38)42-24-16(34)8-26(28,4)30(24)12-39-30/h5,14-18,21-24,31-34,37-38H,6-12H2,1-4H3/t14?,15-,16?,17+,18?,21+,22?,23+,24?,25+,26+,27-,28-,29-,30-/m1/s1 |
| SMILES | CC1=C[C@@H]2O[C@H]3[C@H](O)C[C@@](C)([C@@]2(CO)[C@@H](O)C1=O)[C@]3(CO)OOC[C@@]12C(CC(C)C(=O)C1O)OC1C(O)C[C@]2(C)[C@@]12CO2 |
MNX internals
| InChI (mnx) | InChI=1/C30H42O13/c1-13-5-17-27(9-31,21(37)19(13)35)25(3)7-15(33)23(41-17)29(25,10-32)43-40-11-28-18(6-14(2)20(36)22(28)38)42-24-16(34)8-26(28,4)30(24)12-39-30/h5,14-18,21-24,31-34,37-38H,6-12H2,1-4H3/t14?,15-,16?,17+,18?,21+,22?,23+,24?,25+,26+,27-,28-,29-,30-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C:13]1=[CH:5][C@H:17]2[C@:27]([CH2:9][OH:31])([C@@H:21]([OH:37])[C:19]1=[O:35])[C@:25]1([CH3:3])[CH2:7][C@@H:15]([OH:33])[C@@H:23]([C@@:29]1([CH2:10][OH:32])[O:43][O:40][CH2:11][C@@:28]13[CH:18]([CH2:6][CH:14]([CH3:2])[C:20](=[O:36])[CH:22]1[OH:38])[O:42][CH:24]1[CH:16]([OH:34])[CH2:8][C@:26]3([CH3:4])[C@@:30]13[CH2:12][O:39]3)[O:41]2 |
|