| Properties | Image |
|---|
| MNX_ID | MNXM1187675 |
 |
| reference | envipathM:...0980bd01e139 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | BMJNUDJQHWTRMR-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-35(57-32-14-26(45)36(19(2)54-32)58-33-12-24(43)34(49)28(16-42)56-33)25(44)13-31(53-18)55-22-5-7-38(3)21(10-22)11-27(46)37-40(50)8-6-23(20-9-30(48)52-17-20)39(40,4)29(47)15-41(37,38)51/h9,18-19,21-25,28-29,31-37,42-44,47,49-51H,5-8,10-17H2,1-4H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3CCC4(C)C(CC(=O)C5C4(O)CC(O)C4(C)C(C6=CC(=O)OC6)CCC54O)C3)OC2C)CC(=O)C1OC1CC(O)C(O)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-35(57-32-14-26(45)36(19(2)54-32)58-33-12-24(43)34(49)28(16-42)56-33)25(44)13-31(53-18)55-22-5-7-38(3)21(10-22)11-27(46)37-40(50)8-6-23(20-9-30(48)52-17-20)39(40,4)29(47)15-41(37,38)51/h9,18-19,21-25,28-29,31-37,42-44,47,49-51H,5-8,10-17H2,1-4H3/t18?,19?,21?,22?,23?,24?,25?,28?,29?,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([O:57][CH:32]2[CH2:14][C:26](=[O:45])[CH:36]([O:58][CH:33]3[CH2:12][CH:24]([OH:43])[CH:34]([OH:49])[CH:28]([CH2:16][OH:42])[O:56]3)[CH:19]([CH3:2])[O:54]2)[CH:25]([OH:44])[CH2:13][CH:31]([O:55][CH:22]2[CH2:5][CH2:7][C:38]3([CH3:3])[CH:21]([CH2:10]2)[CH2:11][C:27](=[O:46])[CH:37]2[C:40]4([OH:50])[CH2:8][CH2:6][CH:23]([C:20]5=[CH:9][C:30](=[O:48])[O:52][CH2:17]5)[C:39]4([CH3:4])[CH:29]([OH:47])[CH2:15][C:41]23[OH:51])[O:53]1 |
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