| Properties | Image |
|---|
| MNX_ID | MNXM1181508 |
 |
| reference | envipathM:...8cc0125fc0e6 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | YGVNMXAHTTXATP-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-35(48)27(43)14-33(52-18)56-37-20(3)54-34(16-29(37)45)57-36-19(2)53-32(15-28(36)44)55-22-6-7-38(4)23-13-30(46)39(5)40(49,21-10-31(47)51-17-21)8-9-41(39,50)24(23)12-26(42)25(38)11-22/h10,18-20,22-29,32-34,36-37,42-45,49-50H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4C5CC(=O)C5(C)C(O)(C6=CC(=O)OC6)CCC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-35(48)27(43)14-33(52-18)56-37-20(3)54-34(16-29(37)45)57-36-19(2)53-32(15-28(36)44)55-22-6-7-38(4)23-13-30(46)39(5)40(49,21-10-31(47)51-17-21)8-9-41(39,50)24(23)12-26(42)25(38)11-22/h10,18-20,22-29,32-34,36-37,42-45,49-50H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:35](=[O:48])[CH:27]([OH:43])[CH2:14][CH:33]([O:56][CH:37]2[CH:20]([CH3:3])[O:54][CH:34]([O:57][CH:36]3[CH:19]([CH3:2])[O:53][CH:32]([O:55][CH:22]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:23]6[CH2:13][C:30](=[O:46])[C:39]7([CH3:5])[C:40]([C:21]8=[CH:10][C:31](=[O:47])[O:51][CH2:17]8)([OH:49])[CH2:8][CH2:9][C:41]7([OH:50])[CH:24]6[CH2:12][CH:26]([OH:42])[CH:25]5[CH2:11]4)[CH2:15][CH:28]3[OH:44])[CH2:16][CH:29]2[OH:45])[O:52]1 |
|