| Properties | Image |
|---|
| MNX_ID | MNXM1196197 |
 |
| reference | envipathM:...588ca7944337 |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | KDIJFWYZFKXHAA-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-25(22-10-33(48)51-17-22)7-9-27(42)26-8-6-23-11-24(12-32(47)40(23,5)41(26,50)16-31(18)46)55-34-14-29(44)38(20(3)53-34)57-36-15-30(45)39(21(4)54-36)56-35-13-28(43)37(49)19(2)52-35/h10,18-21,23-26,29-30,32,34-39,44-45,47,49-50H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(CCC6C(=O)CCC(C7=CC(=O)OC7)C(C)C(=O)CC65O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-25(22-10-33(48)51-17-22)7-9-27(42)26-8-6-23-11-24(12-32(47)40(23,5)41(26,50)16-31(18)46)55-34-14-29(44)38(20(3)53-34)57-36-15-30(45)39(21(4)54-36)56-35-13-28(43)37(49)19(2)52-35/h10,18-21,23-26,29-30,32,34-39,44-45,47,49-50H,6-9,11-17H2,1-5H3/t18?,19?,20?,21?,23?,24?,25?,26?,29?,30?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:25]([C:22]2=[CH:10][C:33](=[O:48])[O:51][CH2:17]2)[CH2:7][CH2:9][C:27](=[O:42])[CH:26]2[CH2:8][CH2:6][CH:23]3[CH2:11][CH:24]([O:55][CH:34]4[CH2:14][CH:29]([OH:44])[CH:38]([O:57][CH:36]5[CH2:15][CH:30]([OH:45])[CH:39]([O:56][CH:35]6[CH2:13][C:28](=[O:43])[CH:37]([OH:49])[CH:19]([CH3:2])[O:52]6)[CH:21]([CH3:4])[O:54]5)[CH:20]([CH3:3])[O:53]4)[CH2:12][CH:32]([OH:47])[C:40]3([CH3:5])[C:41]2([OH:50])[CH2:16][C:31]1=[O:46] |
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