| Properties | Image |
|---|
| MNX_ID | MNXM126061 |
 |
| reference | hmdb:HMDB0039647 |
| formula | C42H70O13 |
| global charge | 0 |
| mol weight | 783.009 |
| InChIKey | HXXZFHABSSZFHB-UHFFFAOYSA-N |
| InChI | InChI=1S/C42H70O13/c1-20(2)15-21-17-42(8,55-37-35(50)33(48)31(46)25(19-44)53-37)22-9-13-41(7)29(22)23(51-21)16-27-39(5)12-11-28(38(3,4)26(39)10-14-40(27,41)6)54-36-34(49)32(47)30(45)24(18-43)52-36/h15,21-37,43-50H,9-14,16-19H2,1-8H3 |
| SMILES | CC(C)=CC1CC(C)(OC2OC(CO)C(O)C(O)C2O)C2CCC3(C)C2C(CC2C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC23C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C42H70O13/c1-20(2)15-21-17-42(8,55-37-35(50)33(48)31(46)25(19-44)53-37)22-9-13-41(7)29(22)23(51-21)16-27-39(5)12-11-28(38(3,4)26(39)10-14-40(27,41)6)54-36-34(49)32(47)30(45)24(18-43)52-36/h15,21-37,43-50H,9-14,16-19H2,1-8H3/t21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,32?,33?,34?,35?,36?,37?,39?,40?,41?,42? |
 |
| SMILES (mnx) | [CH3:1][C:20]([CH3:2])=[CH:15][CH:21]1[CH2:17][C:42]([CH3:8])([O:55][CH:37]2[CH:35]([OH:50])[CH:33]([OH:48])[CH:31]([OH:46])[CH:25]([CH2:19][OH:44])[O:53]2)[CH:22]2[CH2:9][CH2:13][C:41]3([CH3:7])[CH:29]2[CH:23]([CH2:16][CH:27]2[C:39]4([CH3:5])[CH2:12][CH2:11][CH:28]([O:54][CH:36]5[CH:34]([OH:49])[CH:32]([OH:47])[CH:30]([OH:45])[CH:24]([CH2:18][OH:43])[O:52]5)[C:38]([CH3:3])([CH3:4])[CH:26]4[CH2:10][CH2:14][C:40]23[CH3:6])[O:51]1 |
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