| Properties | Image |
|---|
| MNX_ID | MNXM1196886 |
 |
| reference | envipathM:...e0a43f41b500 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | SKVCLHMJYZRQBY-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-18-25(41(50)16-33(48)51-17-41)8-9-27(42)24-7-6-22-10-23(11-32(47)40(22,5)26(24)12-28(18)43)55-34-14-30(45)38(20(3)53-34)57-36-15-31(46)39(21(4)54-36)56-35-13-29(44)37(49)19(2)52-35/h18-26,29,31-32,34-39,44,46-47,49-50H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4C(=O)CCC(C5(O)COC(=O)C5)C(C)C(=O)CC43)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-18-25(41(50)16-33(48)51-17-41)8-9-27(42)24-7-6-22-10-23(11-32(47)40(22,5)26(24)12-28(18)43)55-34-14-30(45)38(20(3)53-34)57-36-15-31(46)39(21(4)54-36)56-35-13-29(44)37(49)19(2)52-35/h18-26,29,31-32,34-39,44,46-47,49-50H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,29?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:25]([C:41]2([OH:50])[CH2:16][C:33](=[O:48])[O:51][CH2:17]2)[CH2:8][CH2:9][C:27](=[O:42])[CH:24]2[CH2:7][CH2:6][CH:22]3[CH2:10][CH:23]([O:55][CH:34]4[CH2:14][C:30](=[O:45])[CH:38]([O:57][CH:36]5[CH2:15][CH:31]([OH:46])[CH:39]([O:56][CH:35]6[CH2:13][CH:29]([OH:44])[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)[CH2:11][CH:32]([OH:47])[C:40]3([CH3:5])[CH:26]2[CH2:12][C:28]1=[O:43] |
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