| Properties | Image |
|---|
| MNX_ID | MNXM1305043 |
 |
| reference | envipathM:...80d218f5bff5 |
| formula | C41H61O15 |
| global charge | -1 |
| mol weight | 793.924 |
| InChIKey | HPBQQTHTSJHIML-UHFFFAOYSA-M |
| InChI | InChI=1S/C41H62O15/c1-19-36(49)28(43)15-34(51-19)55-38-21(3)53-35(17-30(38)45)56-37-20(2)52-33(16-29(37)44)54-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(46)40(5)25(9-11-41(26,40)50)22(18-42)12-32(47)48/h12,19-21,23-30,33-35,37-38,42-45,50H,6-11,13-18H2,1-5H3,(H,47,48)/p-1 |
| SMILES | CC1OC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(=O)C5(C)C(C(=CC(=O)[O-])CO)CCC65O)C4)OC3C)OC2C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C41H62O15/c1-19-36(49)28(43)15-34(51-19)55-38-21(3)53-35(17-30(38)45)56-37-20(2)52-33(16-29(37)44)54-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(46)40(5)25(9-11-41(26,40)50)22(18-42)12-32(47)48/h12,19-21,23-30,33-35,37-38,42-45,50H,6-11,13-18H2,1-5H3,(H,47,48)/b22-12?/t19?,20?,21?,23?,24?,25?,26?,27?,28?,29?,30?,33?,34?,35?,37?,38?,39?,40?,41? |
 |
| SMILES (mnx) | [CH3:1][CH:19]1[C:36](=[O:49])[CH:28]([OH:43])[CH2:15][CH:34]([O:55][CH:38]2[CH:21]([CH3:3])[O:53][CH:35]([O:56][CH:37]3[CH:20]([CH3:2])[O:52][CH:33]([O:54][CH:24]4[CH2:8][CH2:10][C:39]5([CH3:4])[CH:23]([CH2:6][CH2:7][CH:26]6[CH:27]5[CH2:14][C:31](=[O:46])[C:40]5([CH3:5])[CH:25]([C:22](=[CH:12][C:32](=[O:47])[OH:48])[CH2:18][OH:42])[CH2:9][CH2:11][C:41]65[OH:50])[CH2:13]4)[CH2:16][CH:29]3[OH:44])[CH2:17][CH:30]2[OH:45])[O:51]1 |
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