| Properties | Image |
|---|
| MNX_ID | MNXM1189853 |
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| reference | envipathM:...735ccb23beb0 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | NRPHKMIYEBPLQE-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-17-35(49)25(43)12-32(53-17)57-37-19(3)55-33(14-27(37)45)58-36-18(2)54-31(13-26(36)44)56-22-6-7-38(4)20(8-22)9-24(42)34-23(38)11-28(46)39(5)40(34,50)15-29(47)41(39,51)21-10-30(48)52-16-21/h10,17-20,22-25,27-29,31-34,36-37,42-43,45-47,50-51H,6-9,11-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C4(O)CC(O)C5(O)C4=CC(=O)OC4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-17-35(49)25(43)12-32(53-17)57-37-19(3)55-33(14-27(37)45)58-36-18(2)54-31(13-26(36)44)56-22-6-7-38(4)20(8-22)9-24(42)34-23(38)11-28(46)39(5)40(34,50)15-29(47)41(39,51)21-10-30(48)52-16-21/h10,17-20,22-25,27-29,31-34,36-37,42-43,45-47,50-51H,6-9,11-16H2,1-5H3/t17?,18?,19?,20?,22?,23?,24?,25?,27?,28?,29?,31?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[C:35](=[O:49])[CH:25]([OH:43])[CH2:12][CH:32]([O:57][CH:37]2[CH:19]([CH3:3])[O:55][CH:33]([O:58][CH:36]3[CH:18]([CH3:2])[O:54][CH:31]([O:56][CH:22]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:20]([CH2:8]4)[CH2:9][CH:24]([OH:42])[CH:34]4[CH:23]5[CH2:11][CH:28]([OH:46])[C:39]5([CH3:5])[C:40]4([OH:50])[CH2:15][CH:29]([OH:47])[C:41]5([C:21]4=[CH:10][C:30](=[O:48])[O:52][CH2:16]4)[OH:51])[CH2:13][C:26]3=[O:44])[CH2:14][CH:27]2[OH:45])[O:53]1 |
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