| Properties | Image |
|---|
| MNX_ID | MNXM1192549 |
 |
| reference | envipathM:...40d2a52f58ba |
| formula | C41H62O17 |
| global charge | 0 |
| mol weight | 826.93 |
| InChIKey | BEBBNEBRAIYJBB-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H62O17/c1-18-33(48)23(42)12-31(53-18)57-35-20(3)55-32(14-25(35)44)58-34-19(2)54-30(13-24(34)43)56-22-6-8-37(4)21(10-22)11-26(45)36-40(50)9-7-27(39(49)16-29(47)52-17-39)38(40,5)28(46)15-41(36,37)51/h18-23,25-28,30-32,34-36,42,44-46,49-51H,6-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(=O)CC(OC4CCC5(C)C(C4)CC(O)C4C5(O)CC(O)C5(C)C(C6(O)COC(=O)C6)CCC45O)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O17/c1-18-33(48)23(42)12-31(53-18)57-35-20(3)55-32(14-25(35)44)58-34-19(2)54-30(13-24(34)43)56-22-6-8-37(4)21(10-22)11-26(45)36-40(50)9-7-27(39(49)16-29(47)52-17-39)38(40,5)28(46)15-41(36,37)51/h18-23,25-28,30-32,34-36,42,44-46,49-51H,6-17H2,1-5H3/t18?,19?,20?,21?,22?,23?,25?,26?,27?,28?,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[C:33](=[O:48])[CH:23]([OH:42])[CH2:12][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:22]4[CH2:6][CH2:8][C:37]5([CH3:4])[CH:21]([CH2:10]4)[CH2:11][CH:26]([OH:45])[CH:36]4[C:40]6([OH:50])[CH2:9][CH2:7][CH:27]([C:39]7([OH:49])[CH2:16][C:29](=[O:47])[O:52][CH2:17]7)[C:38]6([CH3:5])[CH:28]([OH:46])[CH2:15][C:41]45[OH:51])[CH2:13][C:24]3=[O:43])[CH2:14][CH:25]2[OH:44])[O:53]1 |
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