| Properties | Image |
|---|
| MNX_ID | MNXM1189875 |
 |
| reference | envipathM:...00673788b498 |
| formula | C41H66O18 |
| global charge | 0 |
| mol weight | 846.961 |
| InChIKey | BDEAPSXIBWLEAH-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H66O18/c1-17-33(49)22(42)11-31(54-17)58-35-19(3)56-32(13-24(35)44)59-34-18(2)55-30(12-23(34)43)57-21-8-20-9-25(45)36-40(51)7-6-26(39(50)15-29(48)53-16-39)38(40,5)28(47)14-41(36,52)37(20,4)27(46)10-21/h17-28,30-36,42-47,49-52H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(C4)CC(O)C4C5(O)CC(O)C5(C)C(C6(O)COC(=O)C6)CCC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H66O18/c1-17-33(49)22(42)11-31(54-17)58-35-19(3)56-32(13-24(35)44)59-34-18(2)55-30(12-23(34)43)57-21-8-20-9-25(45)36-40(51)7-6-26(39(50)15-29(48)53-16-39)38(40,5)28(47)14-41(36,52)37(20,4)27(46)10-21/h17-28,30-36,42-47,49-52H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:17]1[CH:33]([OH:49])[CH:22]([OH:42])[CH2:11][CH:31]([O:58][CH:35]2[CH:19]([CH3:3])[O:56][CH:32]([O:59][CH:34]3[CH:18]([CH3:2])[O:55][CH:30]([O:57][CH:21]4[CH2:8][CH:20]5[CH2:9][CH:25]([OH:45])[CH:36]6[C:40]7([OH:51])[CH2:7][CH2:6][CH:26]([C:39]8([OH:50])[CH2:15][C:29](=[O:48])[O:53][CH2:16]8)[C:38]7([CH3:5])[CH:28]([OH:47])[CH2:14][C:41]6([OH:52])[C:37]5([CH3:4])[CH:27]([OH:46])[CH2:10]4)[CH2:12][CH:23]3[OH:43])[CH2:13][CH:24]2[OH:44])[O:54]1 |
|