| Properties | Image |
|---|
| MNX_ID | MNXM1170925 |
 |
| reference | envipathM:...0142f71603b1 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | RTWNQAPPIPQQFX-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-17-33(48)23(42)12-31(53-17)58-35-19(3)55-32(14-25(35)44)59-34-18(2)54-30(13-24(34)43)56-20-10-27(45)38(5)26-15-28(46)37(4)22(21-11-29(47)57-36(21)49)6-7-41(37,52)40(26,51)9-8-39(38,50)16-20/h11,17-20,22-26,28,30-36,42-44,46,48-52H,6-10,12-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(=O)C5(C)C6CC(O)C7(C)C(C8=CC(=O)OC8O)CCC7(O)C6(O)CCC5(O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-17-33(48)23(42)12-31(53-17)58-35-19(3)55-32(14-25(35)44)59-34-18(2)54-30(13-24(34)43)56-20-10-27(45)38(5)26-15-28(46)37(4)22(21-11-29(47)57-36(21)49)6-7-41(37,52)40(26,51)9-8-39(38,50)16-20/h11,17-20,22-26,28,30-36,42-44,46,48-52H,6-10,12-16H2,1-5H3/t17?,18?,19?,20?,22?,23?,24?,25?,26?,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:23]([OH:42])[CH2:12][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[CH2:10][C:27](=[O:45])[C:38]5([CH3:5])[CH:26]6[CH2:15][CH:28]([OH:46])[C:37]7([CH3:4])[CH:22]([C:21]8=[CH:11][C:29](=[O:47])[O:57][CH:36]8[OH:49])[CH2:6][CH2:7][C:41]7([OH:52])[C:40]6([OH:51])[CH2:9][CH2:8][C:39]5([OH:50])[CH2:16]4)[CH2:13][CH:24]3[OH:43])[CH2:14][CH:25]2[OH:44])[O:53]1 |
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