| Properties | Image |
|---|
| MNX_ID | MNXM1176740 |
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| reference | envipathM:...c13d1f76bd75 |
| formula | C41H62O16 |
| global charge | 0 |
| mol weight | 810.931 |
| InChIKey | CBEHFGFHBNJGEJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O16/c1-17-36(49)25(42)12-33(52-17)56-38-19(3)54-34(14-27(38)44)57-37-18(2)53-32(13-26(37)43)55-22-9-21-6-7-23-24(39(21,4)29(46)10-22)11-30(47)40(5)35(20-8-31(48)51-16-20)28(45)15-41(23,40)50/h8,17-19,21-25,27-30,32-38,42,44-47,49-50H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2CC(O)C3(C)C(CCC4C3CC(O)C3(C)C(C5=CC(=O)OC5)C(O)CC43O)C2)CC(=O)C1OC1CC(O)C(OC2CC(O)C(O)C(C)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O16/c1-17-36(49)25(42)12-33(52-17)56-38-19(3)54-34(14-27(38)44)57-37-18(2)53-32(13-26(37)43)55-22-9-21-6-7-23-24(39(21,4)29(46)10-22)11-30(47)40(5)35(20-8-31(48)51-16-20)28(45)15-41(23,40)50/h8,17-19,21-25,27-30,32-38,42,44-47,49-50H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,27?,28?,29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:36]([OH:49])[CH:25]([OH:42])[CH2:12][CH:33]([O:56][CH:38]2[CH:19]([CH3:3])[O:54][CH:34]([O:57][CH:37]3[CH:18]([CH3:2])[O:53][CH:32]([O:55][CH:22]4[CH2:9][CH:21]5[CH2:6][CH2:7][CH:23]6[CH:24]([CH2:11][CH:30]([OH:47])[C:40]7([CH3:5])[CH:35]([C:20]8=[CH:8][C:31](=[O:48])[O:51][CH2:16]8)[CH:28]([OH:45])[CH2:15][C:41]67[OH:50])[C:39]5([CH3:4])[CH:29]([OH:46])[CH2:10]4)[CH2:13][C:26]3=[O:43])[CH2:14][CH:27]2[OH:44])[O:52]1 |
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