| Properties | Image |
|---|
| MNX_ID | MNXM1174511 |
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| reference | envipathM:...2708f3abe7b6 |
| formula | C41H62O18 |
| global charge | 0 |
| mol weight | 842.929 |
| InChIKey | BEPSDIAXORYWCD-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O18/c1-16-34(49)23(42)11-31(53-16)58-36-18(3)55-32(13-25(36)44)59-35-17(2)54-30(12-24(35)43)56-19-6-7-38(4)21-9-27(46)39(5)33(20-8-29(48)57-37(20)50)26(45)15-40(39,51)22(21)10-28(47)41(38,52)14-19/h8,16-19,21-28,30-36,42-47,49,51-52H,6-7,9-15H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C6CC(O)C7(C)C(C8=CC(=O)OC8=O)C(O)CC7(O)C6CC(O)C5(O)C4)OC3C)OC2C)CC(O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O18/c1-16-34(49)23(42)11-31(53-16)58-36-18(3)55-32(13-25(36)44)59-35-17(2)54-30(12-24(35)43)56-19-6-7-38(4)21-9-27(46)39(5)33(20-8-29(48)57-37(20)50)26(45)15-40(39,51)22(21)10-28(47)41(38,52)14-19/h8,16-19,21-28,30-36,42-47,49,51-52H,6-7,9-15H2,1-5H3/t16?,17?,18?,19?,21?,22?,23?,24?,25?,26?,27?,28?,30?,31?,32?,33?,34?,35?,36?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:16]1[CH:34]([OH:49])[CH:23]([OH:42])[CH2:11][CH:31]([O:58][CH:36]2[CH:18]([CH3:3])[O:55][CH:32]([O:59][CH:35]3[CH:17]([CH3:2])[O:54][CH:30]([O:56][CH:19]4[CH2:6][CH2:7][C:38]5([CH3:4])[CH:21]6[CH2:9][CH:27]([OH:46])[C:39]7([CH3:5])[CH:33]([C:20]8=[CH:8][C:29](=[O:48])[O:57][C:37]8=[O:50])[CH:26]([OH:45])[CH2:15][C:40]7([OH:51])[CH:22]6[CH2:10][CH:28]([OH:47])[C:41]5([OH:52])[CH2:14]4)[CH2:12][CH:24]3[OH:43])[CH2:13][CH:25]2[OH:44])[O:53]1 |
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