| Properties | Image |
|---|
| MNX_ID | MNXM1197894 |
 |
| reference | envipathM:...1e37ab64a8dd |
| formula | C41H64O16 |
| global charge | 0 |
| mol weight | 812.947 |
| InChIKey | QKMHXSDDJYWBJF-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O16/c1-18-26(43)11-25-24(27(44)12-28(45)37(18)21-9-33(49)51-17-21)6-5-22-10-23(7-8-41(22,25)4)54-34-14-30(47)39(19(2)52-34)56-35-15-31(48)40(20(3)53-35)57-36-13-29(46)38(50)32(16-42)55-36/h18-25,28-32,34-40,42,45-48,50H,5-17H2,1-4H3 |
| SMILES | CC1OC(OC2CCC3(C)C(CCC4C(=O)CC(O)C(C5COC(=O)C5)C(C)C(=O)CC43)C2)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(CO)O2)C(C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O16/c1-18-26(43)11-25-24(27(44)12-28(45)37(18)21-9-33(49)51-17-21)6-5-22-10-23(7-8-41(22,25)4)54-34-14-30(47)39(19(2)52-34)56-35-15-31(48)40(20(3)53-35)57-36-13-29(46)38(50)32(16-42)55-36/h18-25,28-32,34-40,42,45-48,50H,5-17H2,1-4H3/t18?,19?,20?,21?,22?,23?,24?,25?,28?,29?,30?,31?,32?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[C:26](=[O:43])[CH2:11][CH:25]2[CH:24]([CH2:6][CH2:5][CH:22]3[CH2:10][CH:23]([O:54][CH:34]4[CH2:14][CH:30]([OH:47])[CH:39]([O:56][CH:35]5[CH2:15][CH:31]([OH:48])[CH:40]([O:57][CH:36]6[CH2:13][CH:29]([OH:46])[CH:38]([OH:50])[CH:32]([CH2:16][OH:42])[O:55]6)[CH:20]([CH3:3])[O:53]5)[CH:19]([CH3:2])[O:52]4)[CH2:7][CH2:8][C:41]32[CH3:4])[C:27](=[O:44])[CH2:12][CH:28]([OH:45])[CH:37]1[CH:21]1[CH2:9][C:33](=[O:49])[O:51][CH2:17]1 |
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