| Properties | Image |
|---|
| MNX_ID | MNXM1138455 |
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| reference | envipathM:...f4463b771cf2 |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | ZNIVDSRAACIAMX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-17-33(48)25(43)13-31(53-17)58-35-19(3)55-32(15-27(35)45)59-34-18(2)54-30(14-26(34)44)56-20-6-7-37(4)21-12-28(46)38(5)39(50,22(21)11-24(42)23(37)10-20)8-9-41(38,52)40(51)16-29(47)57-36(40)49/h17-25,27-28,30-36,42-43,45-46,48-52H,6-16H2,1-5H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C2(O)CCC3(O)C2(O)CC(=O)OC2O)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-33(48)25(43)13-31(53-17)58-35-19(3)55-32(15-27(35)45)59-34-18(2)54-30(14-26(34)44)56-20-6-7-37(4)21-12-28(46)38(5)39(50,22(21)11-24(42)23(37)10-20)8-9-41(38,52)40(51)16-29(47)57-36(40)49/h17-25,27-28,30-36,42-43,45-46,48-52H,6-16H2,1-5H3/t17?,18?,19?,20?,21?,22?,23?,24?,25?,27?,28?,30?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:33]([OH:48])[CH:25]([OH:43])[CH2:13][CH:31]([O:58][CH:35]2[CH:19]([CH3:3])[O:55][CH:32]([O:59][CH:34]3[CH:18]([CH3:2])[O:54][CH:30]([O:56][CH:20]4[CH2:6][CH2:7][C:37]5([CH3:4])[CH:21]6[CH2:12][CH:28]([OH:46])[C:38]7([CH3:5])[C:39]([OH:50])([CH2:8][CH2:9][C:41]7([C:40]7([OH:51])[CH2:16][C:29](=[O:47])[O:57][CH:36]7[OH:49])[OH:52])[CH:22]6[CH2:11][CH:24]([OH:42])[CH:23]5[CH2:10]4)[CH2:14][C:26]3=[O:44])[CH2:15][CH:27]2[OH:45])[O:53]1 |
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