| Properties | Image |
|---|
| MNX_ID | MNXM1172964 |
 |
| reference | envipathM:...00f3cdfab93e |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | MSCVZVMKINFFDY-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-26(43)11-25-24(41(18,51)32(48)12-27(44)21-9-33(49)52-17-21)6-5-22-10-23(7-8-40(22,25)4)55-34-14-29(46)38(19(2)53-34)57-35-15-30(47)39(20(3)54-35)58-36-13-28(45)37(50)31(16-42)56-36/h9,18-20,22-25,28-32,34-39,42,45-48,50-51H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C3CC(=O)C(C)C4(O)C(O)CC(=O)C3=CC(=O)OC3)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-26(43)11-25-24(41(18,51)32(48)12-27(44)21-9-33(49)52-17-21)6-5-22-10-23(7-8-40(22,25)4)55-34-14-29(46)38(19(2)53-34)57-35-15-30(47)39(20(3)54-35)58-36-13-28(45)37(50)31(16-42)56-36/h9,18-20,22-25,28-32,34-39,42,45-48,50-51H,5-8,10-17H2,1-4H3/t18?,19?,20?,22?,23?,24?,25?,28?,29?,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:26](=[O:43])[CH2:11][CH:25]2[CH:24]([CH2:6][CH2:5][CH:22]3[CH2:10][CH:23]([O:55][CH:34]4[CH2:14][CH:29]([OH:46])[CH:38]([O:57][CH:35]5[CH2:15][CH:30]([OH:47])[CH:39]([O:58][CH:36]6[CH2:13][CH:28]([OH:45])[CH:37]([OH:50])[CH:31]([CH2:16][OH:42])[O:56]6)[CH:20]([CH3:3])[O:54]5)[CH:19]([CH3:2])[O:53]4)[CH2:7][CH2:8][C:40]32[CH3:4])[C:41]1([CH:32]([CH2:12][C:27]([C:21]1=[CH:9][C:33](=[O:49])[O:52][CH2:17]1)=[O:44])[OH:48])[OH:51] |
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