| Properties | Image |
|---|
| MNX_ID | MNXM1194629 |
 |
| reference | envipathM:...8213847d7c62 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | ZAXOIEVMIPYSLA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-34(48)24(42)13-32(53-18)57-36-20(3)55-33(15-26(36)44)58-35-19(2)54-31(14-25(35)43)56-23-10-21-6-7-40(50)27(37(21,4)28(45)12-23)16-29(46)38(5)39(49,8-9-41(38,40)51)22-11-30(47)52-17-22/h11,18-21,23-25,27-28,31-36,42-43,45,48-51H,6-10,12-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CC(O)C4(C)C(CCC5(O)C4CC(=O)C4(C)C(O)(C6=CC(=O)OC6)CCC54O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-34(48)24(42)13-32(53-18)57-36-20(3)55-33(15-26(36)44)58-35-19(2)54-31(14-25(35)43)56-23-10-21-6-7-40(50)27(37(21,4)28(45)12-23)16-29(46)38(5)39(49,8-9-41(38,40)51)22-11-30(47)52-17-22/h11,18-21,23-25,27-28,31-36,42-43,45,48-51H,6-10,12-17H2,1-5H3/t18?,19?,20?,21?,23?,24?,25?,27?,28?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:34]([OH:48])[CH:24]([OH:42])[CH2:13][CH:32]([O:57][CH:36]2[CH:20]([CH3:3])[O:55][CH:33]([O:58][CH:35]3[CH:19]([CH3:2])[O:54][CH:31]([O:56][CH:23]4[CH2:10][CH:21]5[CH2:6][CH2:7][C:40]6([OH:50])[CH:27]([CH2:16][C:29](=[O:46])[C:38]7([CH3:5])[C:39]([C:22]8=[CH:11][C:30](=[O:47])[O:52][CH2:17]8)([OH:49])[CH2:8][CH2:9][C:41]76[OH:51])[C:37]5([CH3:4])[CH:28]([OH:45])[CH2:12]4)[CH2:14][CH:25]3[OH:43])[CH2:15][C:26]2=[O:44])[O:53]1 |
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