| Properties | Image |
|---|
| MNX_ID | MNXM1186091 |
 |
| reference | envipathM:...1b09dcc64a5d |
| formula | C41H62O15 |
| global charge | 0 |
| mol weight | 794.932 |
| InChIKey | WKLOWEIMDNVYRB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O15/c1-18-36(48)28(43)14-34(51-18)55-38-20(3)53-35(16-30(38)45)56-37-19(2)52-33(15-29(37)44)54-22-6-8-39(4)24-13-31(46)40(5)23(21-10-32(47)50-17-21)7-9-41(40,49)25(24)12-27(42)26(39)11-22/h10,18-20,22-29,31,33-38,42-44,46,48-49H,6-9,11-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(C3)C(O)CC3C4CC(O)C4(C)C(C5=CC(=O)OC5)CCC34O)OC2C)CC(=O)C1OC1CC(O)C(O)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H62O15/c1-18-36(48)28(43)14-34(51-18)55-38-20(3)53-35(16-30(38)45)56-37-19(2)52-33(15-29(37)44)54-22-6-8-39(4)24-13-31(46)40(5)23(21-10-32(47)50-17-21)7-9-41(40,49)25(24)12-27(42)26(39)11-22/h10,18-20,22-29,31,33-38,42-44,46,48-49H,6-9,11-17H2,1-5H3/t18?,19?,20?,22?,23?,24?,25?,26?,27?,28?,29?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:36]([OH:48])[CH:28]([OH:43])[CH2:14][CH:34]([O:55][CH:38]2[CH:20]([CH3:3])[O:53][CH:35]([O:56][CH:37]3[CH:19]([CH3:2])[O:52][CH:33]([O:54][CH:22]4[CH2:6][CH2:8][C:39]5([CH3:4])[CH:24]6[CH2:13][CH:31]([OH:46])[C:40]7([CH3:5])[CH:23]([C:21]8=[CH:10][C:32](=[O:47])[O:50][CH2:17]8)[CH2:7][CH2:9][C:41]7([OH:49])[CH:25]6[CH2:12][CH:27]([OH:42])[CH:26]5[CH2:11]4)[CH2:15][CH:29]3[OH:44])[CH2:16][C:30]2=[O:45])[O:51]1 |
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