| Properties | Image |
|---|
| MNX_ID | MNXM1181828 |
 |
| reference | envipathM:...2da2c6354e91 |
| formula | C41H58O15 |
| global charge | 0 |
| mol weight | 790.9 |
| InChIKey | JHXDDDHBGKWUQM-UHFFFAOYSA-N |
| InChI | InChI=1S/C41H58O15/c1-18-35(47)27(42)15-33(50-18)55-37-20(3)52-34(17-29(37)44)56-36-19(2)51-32(16-28(36)43)53-22-8-10-39(4)21(12-22)6-7-25-26(39)14-30(45)40(5)24(9-11-41(25,40)49)23-13-31(46)54-38(23)48/h13,18-22,24-26,28-29,32-37,43-44,47,49H,6-12,14-17H2,1-5H3 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(=O)C5(C)C(C7=CC(=O)OC7=O)CCC65O)C4)OC3C)OC2C)CC(=O)C1O |
MNX internals
| InChI (mnx) | InChI=1/C41H58O15/c1-18-35(47)27(42)15-33(50-18)55-37-20(3)52-34(17-29(37)44)56-36-19(2)51-32(16-28(36)43)53-22-8-10-39(4)21(12-22)6-7-25-26(39)14-30(45)40(5)24(9-11-41(25,40)49)23-13-31(46)54-38(23)48/h13,18-22,24-26,28-29,32-37,43-44,47,49H,6-12,14-17H2,1-5H3/t18?,19?,20?,21?,22?,24?,25?,26?,28?,29?,32?,33?,34?,35?,36?,37?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:18]1[CH:35]([OH:47])[C:27](=[O:42])[CH2:15][CH:33]([O:55][CH:37]2[CH:20]([CH3:3])[O:52][CH:34]([O:56][CH:36]3[CH:19]([CH3:2])[O:51][CH:32]([O:53][CH:22]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:21]([CH2:6][CH2:7][CH:25]6[CH:26]5[CH2:14][C:30](=[O:45])[C:40]5([CH3:5])[CH:24]([C:23]7=[CH:13][C:31](=[O:46])[O:54][C:38]7=[O:48])[CH2:9][CH2:11][C:41]65[OH:49])[CH2:12]4)[CH2:16][CH:28]3[OH:43])[CH2:17][CH:29]2[OH:44])[O:50]1 |
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