| Properties | Image |
|---|
| MNX_ID | MNXM106464 |
 |
| reference | chebi:66674 |
| formula | C37H62O8 |
| global charge | 0 |
| mol weight | 634.895 |
| InChIKey | BQSKVEDRDUPKAI-ADEYTEBPSA-N |
| InChI | InChI=1S/C37H62O8/c1-21(9-10-22(2)33(3,4)43)23-13-17-37(8)25-11-12-27-34(5,24(25)14-18-36(23,37)7)16-15-28(35(27,6)20-39)45-32-31(42)30(41)29(40)26(19-38)44-32/h21,23,26-32,38-43H,2,9-20H2,1,3-8H3/t21-,23-,26-,27-,28+,29-,30+,31-,32+,34-,35+,36-,37+/m1/s1 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@](C)(CO)[C@@H]1CC3)C(C)(C)O |
MNX internals
| InChI (mnx) | InChI=1/C37H62O8/c1-21(9-10-22(2)33(3,4)43)23-13-17-37(8)25-11-12-27-34(5,24(25)14-18-36(23,37)7)16-15-28(35(27,6)20-39)45-32-31(42)30(41)29(40)26(19-38)44-32/h21,23,26-32,38-43H,2,9-20H2,1,3-8H3/t21-,23-,26-,27-,28+,29-,30+,31-,32+,34-,35+,36-,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@H:21]([CH2:9][CH2:10][C:22](=[CH2:2])[C:33]([CH3:3])([CH3:4])[OH:43])[C@H:23]1[CH2:13][CH2:17][C@@:37]2([CH3:8])[C:25]3=[C:24]([CH2:14][CH2:18][C@:36]12[CH3:7])[C@@:34]1([CH3:5])[CH2:16][CH2:15][C@H:28]([O:45][C@H:32]2[C@H:31]([OH:42])[C@@H:30]([OH:41])[C@H:29]([OH:40])[C@@H:26]([CH2:19][OH:38])[O:44]2)[C@@:35]([CH3:6])([CH2:20][OH:39])[C@@H:27]1[CH2:12][CH2:11]3 |
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