| Properties | Image |
|---|
| MNX_ID | MNXM1180860 |
 |
| reference | envipathM:...c73dccbc29ed |
| formula | C41H60O16 |
| global charge | 0 |
| mol weight | 808.915 |
| InChIKey | URJVZFBRKDUPES-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O16/c1-18-26(42)11-25-24(27(43)12-28(44)36(18)22-10-32(48)51-17-22)7-9-41(50)16-23(6-8-40(25,41)5)55-33-14-30(46)38(20(3)53-33)57-35-15-31(47)39(21(4)54-35)56-34-13-29(45)37(49)19(2)52-34/h10,18-21,23-25,28,30-31,33-39,44,46-47,49-50H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(=O)C(C)C(C7=CC(=O)OC7)C(O)CC(=O)C6CCC5(O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O16/c1-18-26(42)11-25-24(27(43)12-28(44)36(18)22-10-32(48)51-17-22)7-9-41(50)16-23(6-8-40(25,41)5)55-33-14-30(46)38(20(3)53-33)57-35-15-31(47)39(21(4)54-35)56-34-13-29(45)37(49)19(2)52-34/h10,18-21,23-25,28,30-31,33-39,44,46-47,49-50H,6-9,11-17H2,1-5H3/t18?,19?,20?,21?,23?,24?,25?,28?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:26](=[O:42])[CH2:11][CH:25]2[CH:24]([CH2:7][CH2:9][C:41]3([OH:50])[CH2:16][CH:23]([O:55][CH:33]4[CH2:14][CH:30]([OH:46])[CH:38]([O:57][CH:35]5[CH2:15][CH:31]([OH:47])[CH:39]([O:56][CH:34]6[CH2:13][C:29](=[O:45])[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)[CH2:6][CH2:8][C:40]23[CH3:5])[C:27](=[O:43])[CH2:12][CH:28]([OH:44])[CH:36]1[C:22]1=[CH:10][C:32](=[O:48])[O:51][CH2:17]1 |
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