| Properties | Image |
|---|
| MNX_ID | MNXM1184244 |
 |
| reference | envipathM:...3776fab51781 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | WUPANVHARJUTFR-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-34(48)24(42)12-32(52-17)57-36-19(3)54-33(14-26(36)44)58-35-18(2)53-31(13-25(35)43)55-20-6-8-38(4)23(10-20)27(45)16-40(50)28(38)15-29(46)39(5)22(7-9-41(39,40)51)21-11-30(47)56-37(21)49/h11,17-20,22-28,31-33,35-37,42-45,49-51H,6-10,12-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)C(O)CC4(O)C5CC(=O)C5(C)C(C6=CC(=O)OC6O)CCC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-34(48)24(42)12-32(52-17)57-36-19(3)54-33(14-26(36)44)58-35-18(2)53-31(13-25(35)43)55-20-6-8-38(4)23(10-20)27(45)16-40(50)28(38)15-29(46)39(5)22(7-9-41(39,40)51)21-11-30(47)56-37(21)49/h11,17-20,22-28,31-33,35-37,42-45,49-51H,6-10,12-16H2,1-5H3/t17?,18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,31?,32?,33?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[C:34](=[O:48])[CH:24]([OH:42])[CH2:12][CH:32]([O:57][CH:36]2[CH:19]([CH3:3])[O:54][CH:33]([O:58][CH:35]3[CH:18]([CH3:2])[O:53][CH:31]([O:55][CH:20]4[CH2:6][CH2:8][C:38]5([CH3:4])[CH:23]([CH2:10]4)[CH:27]([OH:45])[CH2:16][C:40]4([OH:50])[CH:28]5[CH2:15][C:29](=[O:46])[C:39]5([CH3:5])[CH:22]([C:21]6=[CH:11][C:30](=[O:47])[O:56][CH:37]6[OH:49])[CH2:7][CH2:9][C:41]54[OH:51])[CH2:13][CH:25]3[OH:43])[CH2:14][CH:26]2[OH:44])[O:52]1 |
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