| Properties | Image |
|---|
| MNX_ID | MNXM101906 |
 |
| reference | chebi:69365 |
| formula | C36H58O10 |
| global charge | 0 |
| mol weight | 650.85 |
| InChIKey | ACQGRYACYVKOBB-ONXNPAKPSA-N |
| InChI | InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(43)26(42)25(41)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-23-32(3)10-9-24(40)33(4,18-38)28(32)21(39)16-35(23,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24-,25+,26-,27+,28+,29-,32+,33+,34+,35+,36-/m0/s1 |
| SMILES | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1 |
MNX internals
| InChI (mnx) | InChI=1/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(43)26(42)25(41)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-23-32(3)10-9-24(40)33(4,18-38)28(32)21(39)16-35(23,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24-,25+,26-,27+,28+,29-,32+,33+,34+,35+,36-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:31]1([CH3:2])[CH2:11][CH2:13][C@:36]2([C:30](=[O:44])[O:46][C@H:29]3[C@H:27]([OH:43])[C@@H:26]([OH:42])[C@H:25]([OH:41])[C@@H:22]([CH2:17][OH:37])[O:45]3)[CH2:14][CH2:12][C@:34]3([CH3:5])[C:19](=[CH:7][CH2:8][C@@H:23]4[C@@:32]5([CH3:3])[CH2:10][CH2:9][C@H:24]([OH:40])[C@@:33]([CH3:4])([CH2:18][OH:38])[C@@H:28]5[C@H:21]([OH:39])[CH2:16][C@:35]43[CH3:6])[C@@H:20]2[CH2:15]1 |
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