| Properties | Image |
|---|
| MNX_ID | MNXM1193348 |
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| reference | envipathM:...b469538694af |
| formula | C41H64O18 |
| global charge | 0 |
| mol weight | 844.945 |
| InChIKey | NIIATAFSRWWLCR-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O18/c1-17-34(49)23(42)10-32(54-17)58-36-19(3)56-33(12-25(36)44)59-35-18(2)55-31(11-24(35)43)57-21-9-27(45)38(5)40(51)15-29(47)37(4)22(20-8-30(48)53-16-20)6-7-39(37,50)26(40)13-28(46)41(38,52)14-21/h8,17-19,21-29,31-36,42-47,49-52H,6-7,9-16H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CC(O)C5(C)C(O)(C4)C(O)CC4C6(O)CCC(C7=CC(=O)OC7)C6(C)C(O)CC45O)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H64O18/c1-17-34(49)23(42)10-32(54-17)58-36-19(3)56-33(12-25(36)44)59-35-18(2)55-31(11-24(35)43)57-21-9-27(45)38(5)40(51)15-29(47)37(4)22(20-8-30(48)53-16-20)6-7-39(37,50)26(40)13-28(46)41(38,52)14-21/h8,17-19,21-29,31-36,42-47,49-52H,6-7,9-16H2,1-5H3/t17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:17]1[CH:34]([OH:49])[CH:23]([OH:42])[CH2:10][CH:32]([O:58][CH:36]2[CH:19]([CH3:3])[O:56][CH:33]([O:59][CH:35]3[CH:18]([CH3:2])[O:55][CH:31]([O:57][CH:21]4[CH2:9][CH:27]([OH:45])[C:38]5([CH3:5])[C:40]6([OH:51])[CH2:15][CH:29]([OH:47])[C:37]7([CH3:4])[CH:22]([C:20]8=[CH:8][C:30](=[O:48])[O:53][CH2:16]8)[CH2:6][CH2:7][C:39]7([OH:50])[CH:26]6[CH2:13][CH:28]([OH:46])[C:41]5([OH:52])[CH2:14]4)[CH2:11][CH:24]3[OH:43])[CH2:12][CH:25]2[OH:44])[O:54]1 |
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