| Properties | Image |
|---|
| MNX_ID | MNXM1187305 |
 |
| reference | envipathM:...f9d2e533ddc2 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | HCISFCDZXWYYNC-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-16-35(49)25(43)13-32(52-16)57-37-18(3)54-33(15-27(37)45)58-36-17(2)53-31(14-26(36)44)55-20-8-19-9-24(42)34-23(39(19,4)28(46)10-20)12-29(47)40(5)22(6-7-41(34,40)51)21-11-30(48)56-38(21)50/h11,16-20,22-26,28-29,31-34,36-38,42-44,46-47,50-51H,6-10,12-15H2,1-5H3 |
| SMILES | CC1OC(OC2C(=O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C6=CC(=O)OC6O)CCC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-16-35(49)25(43)13-32(52-16)57-37-18(3)54-33(15-27(37)45)58-36-17(2)53-31(14-26(36)44)55-20-8-19-9-24(42)34-23(39(19,4)28(46)10-20)12-29(47)40(5)22(6-7-41(34,40)51)21-11-30(48)56-38(21)50/h11,16-20,22-26,28-29,31-34,36-38,42-44,46-47,50-51H,6-10,12-15H2,1-5H3/t16?,17?,18?,19?,20?,22?,23?,24?,25?,26?,28?,29?,31?,32?,33?,34?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[C:35](=[O:49])[CH:25]([OH:43])[CH2:13][CH:32]([O:57][CH:37]2[CH:18]([CH3:3])[O:54][CH:33]([O:58][CH:36]3[CH:17]([CH3:2])[O:53][CH:31]([O:55][CH:20]4[CH2:8][CH:19]5[CH2:9][CH:24]([OH:42])[CH:34]6[CH:23]([CH2:12][CH:29]([OH:47])[C:40]7([CH3:5])[CH:22]([C:21]8=[CH:11][C:30](=[O:48])[O:56][CH:38]8[OH:50])[CH2:6][CH2:7][C:41]67[OH:51])[C:39]5([CH3:4])[CH:28]([OH:46])[CH2:10]4)[CH2:14][CH:26]3[OH:44])[CH2:15][C:27]2=[O:45])[O:52]1 |
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