| Properties | Image |
|---|
| MNX_ID | MNXM1179741 |
 |
| reference | envipathM:...798b557d962f |
| formula | C41H64O17 |
| global charge | 0 |
| mol weight | 828.946 |
| InChIKey | PXDUVYCMOMLFTO-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H64O17/c1-18-37(57-35-14-28(47)38(30(16-43)56-35)58-34-12-26(45)36(50)29(15-42)55-34)27(46)13-33(53-18)54-20-4-6-39(2)22-11-31(48)40(3)21(19-8-32(49)52-17-19)5-7-41(40,51)23(22)10-25(44)24(39)9-20/h15,18-31,33-38,43-48,50-51H,4-14,16-17H2,1-3H3 |
| SMILES | CC1OC(OC2CCC3(C)C(C2)C(O)CC2C3CC(O)C3(C)C(C4COC(=O)C4)CCC23O)CC(O)C1OC1CC(O)C(OC2CC(O)C(O)C(C=O)O2)C(CO)O1 |
MNX internals
| InChI (mnx) | InChI=1/C41H64O17/c1-18-37(57-35-14-28(47)38(30(16-43)56-35)58-34-12-26(45)36(50)29(15-42)55-34)27(46)13-33(53-18)54-20-4-6-39(2)22-11-31(48)40(3)21(19-8-32(49)52-17-19)5-7-41(40,51)23(22)10-25(44)24(39)9-20/h15,18-31,33-38,43-48,50-51H,4-14,16-17H2,1-3H3/t18?,19?,20?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,33?,34?,35?,36?,37?,38?,39?,40?,41? |
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| SMILES (mnx) | [CH3:1][CH:18]1[CH:37]([O:57][CH:35]2[CH2:14][CH:28]([OH:47])[CH:38]([O:58][CH:34]3[CH2:12][CH:26]([OH:45])[CH:36]([OH:50])[CH:29]([CH:15]=[O:42])[O:55]3)[CH:30]([CH2:16][OH:43])[O:56]2)[CH:27]([OH:46])[CH2:13][CH:33]([O:54][CH:20]2[CH2:4][CH2:6][C:39]3([CH3:2])[CH:22]4[CH2:11][CH:31]([OH:48])[C:40]5([CH3:3])[CH:21]([CH:19]6[CH2:8][C:32](=[O:49])[O:52][CH2:17]6)[CH2:5][CH2:7][C:41]5([OH:51])[CH:23]4[CH2:10][CH:25]([OH:44])[CH:24]3[CH2:9]2)[O:53]1 |
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