| Properties | Image |
|---|
| MNX_ID | MNXM103843 |
 |
| reference | chebi:70247 |
| formula | C37H58O11 |
| global charge | 0 |
| mol weight | 678.86 |
| InChIKey | HZIBYJCDCHVSPK-RKUDFBBFSA-N |
| InChI | InChI=1S/C37H58O11/c1-17-13-20-28(32(5,6)43)48-37(47-20)27(17)34(8)24(45-18(2)38)14-36-16-35(36)12-11-23(46-29-26(41)25(40)19(39)15-44-29)31(3,4)21(35)9-10-22(36)33(34,7)30(37)42/h17,19-30,39-43H,9-16H2,1-8H3/t17-,19+,20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1 |
| SMILES | CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC[C@H]3[C@]2(C)[C@@H](O)[C@]34O[C@H](C[C@@H](C)[C@@H]3[C@@]12C)[C@@H](C(C)(C)O)O4 |
MNX internals
| InChI (mnx) | InChI=1/C37H58O11/c1-17-13-20-28(32(5,6)43)48-37(47-20)27(17)34(8)24(45-18(2)38)14-36-16-35(36)12-11-23(46-29-26(41)25(40)19(39)15-44-29)31(3,4)21(35)9-10-22(36)33(34,7)30(37)42/h17,19-30,39-43H,9-16H2,1-8H3/t17-,19+,20-,21+,22+,23+,24-,25+,26-,27-,28+,29+,30-,33-,34-,35-,36+,37+/m1/s1 |
 |
| SMILES (mnx) | [CH3:1][C@@H:17]1[CH2:13][C@@H:20]2[C@@H:28]([C:32]([CH3:5])([CH3:6])[OH:43])[O:48][C@:37]3([C@H:27]1[C@@:34]1([CH3:8])[C@H:24]([O:45][C:18]([CH3:2])=[O:38])[CH2:14][C@@:36]45[CH2:16][C@@:35]46[CH2:12][CH2:11][C@H:23]([O:46][C@H:29]4[C@H:26]([OH:41])[C@@H:25]([OH:40])[C@@H:19]([OH:39])[CH2:15][O:44]4)[C:31]([CH3:3])([CH3:4])[C@@H:21]6[CH2:9][CH2:10][C@H:22]5[C@:33]1([CH3:7])[C@H:30]3[OH:42])[O:47]2 |
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