| Properties | Image |
|---|
| MNX_ID | MNXM1197826 |
 |
| reference | envipathM:...3fe7849d3499 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | WCBVNHXYUFZXDX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-18-24(21-9-33(49)51-17-21)5-6-26(43)37-25(12-27(18)44)41(4)8-7-23(10-22(41)11-28(37)45)54-36-15-31(48)40(32(16-42)55-36)57-35-14-30(47)39(20(3)53-35)56-34-13-29(46)38(50)19(2)52-34/h9,18-20,22-25,28-32,34-40,42,45-48,50H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C(=O)CCC(C6=CC(=O)OC6)C(C)C(=O)CC45)OC3CO)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-18-24(21-9-33(49)51-17-21)5-6-26(43)37-25(12-27(18)44)41(4)8-7-23(10-22(41)11-28(37)45)54-36-15-31(48)40(32(16-42)55-36)57-35-14-30(47)39(20(3)53-35)56-34-13-29(46)38(50)19(2)52-34/h9,18-20,22-25,28-32,34-40,42,45-48,50H,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? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:24]([C:21]2=[CH:9][C:33](=[O:49])[O:51][CH2:17]2)[CH2:5][CH2:6][C:26](=[O:43])[CH:37]2[CH:25]([CH2:12][C:27]1=[O:44])[C:41]1([CH3:4])[CH2:8][CH2:7][CH:23]([O:54][CH:36]3[CH2:15][CH:31]([OH:48])[CH:40]([O:57][CH:35]4[CH2:14][CH:30]([OH:47])[CH:39]([O:56][CH:34]5[CH2:13][CH:29]([OH:46])[CH:38]([OH:50])[CH:19]([CH3:2])[O:52]5)[CH:20]([CH3:3])[O:53]4)[CH:32]([CH2:16][OH:42])[O:55]3)[CH2:10][CH:22]1[CH2:11][CH:28]2[OH:45] |
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