| Properties | Image |
|---|
| MNX_ID | MNXM1185433 |
 |
| reference | envipathM:...e0acfbb964d7 |
| formula | C41H60O17 |
| global charge | 0 |
| mol weight | 824.914 |
| InChIKey | CBSGHWUGMZLOLL-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H60O17/c1-18-33(48)24(42)13-31(53-18)57-35-20(3)55-32(15-26(35)44)58-34-19(2)54-30(14-25(34)43)56-23-6-7-37(4)21(10-23)11-27(45)36-40(50)9-8-39(49,22-12-29(47)52-17-22)38(40,5)28(46)16-41(36,37)51/h12,18-21,23-27,30-32,34-36,42-45,49-51H,6-11,13-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5(O)CC(=O)C5(C)C(O)(C6=CC(=O)OC6)CCC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H60O17/c1-18-33(48)24(42)13-31(53-18)57-35-20(3)55-32(15-26(35)44)58-34-19(2)54-30(14-25(34)43)56-23-6-7-37(4)21(10-23)11-27(45)36-40(50)9-8-39(49,22-12-29(47)52-17-22)38(40,5)28(46)16-41(36,37)51/h12,18-21,23-27,30-32,34-36,42-45,49-51H,6-11,13-17H2,1-5H3/t18?,19?,20?,21?,23?,24?,25?,26?,27?,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:33](=[O:48])[CH:24]([OH:42])[CH2:13][CH:31]([O:57][CH:35]2[CH:20]([CH3:3])[O:55][CH:32]([O:58][CH:34]3[CH:19]([CH3:2])[O:54][CH:30]([O:56][CH:23]4[CH2:6][CH2:7][C:37]5([CH3:4])[CH:21]([CH2:10]4)[CH2:11][CH:27]([OH:45])[CH:36]4[C:40]6([OH:50])[CH2:9][CH2:8][C:39]([C:22]7=[CH:12][C:29](=[O:47])[O:52][CH2:17]7)([OH:49])[C:38]6([CH3:5])[C:28](=[O:46])[CH2:16][C:41]45[OH:51])[CH2:14][CH:25]3[OH:43])[CH2:15][CH:26]2[OH:44])[O:53]1 |
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