| Properties | Image |
|---|
| MNX_ID | MNXM7087 |
 |
| reference | chebi:29524 |
| formula | C42H62O11 |
| global charge | 0 |
| mol weight | 742.947 |
| InChIKey | UFXJUDTUTIFNOY-DXLDPMLMSA-N |
| InChI | InChI=1S/C42H62O11/c1-10-23(2)37-26(5)16-17-41(53-37)21-31-19-30(52-41)15-14-25(4)36(51-34-20-33(46-8)35(43)28(7)49-34)24(3)12-11-13-29-22-48-39-38(47-9)27(6)18-32(40(44)50-31)42(29,39)45/h11-14,16-18,23-24,26,28,30-39,43,45H,10,15,19-22H2,1-9H3/b12-11+,25-14+,29-13+/t23?,24-,26-,28-,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,41+,42+/m0/s1 |
| SMILES | CCC(C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](OC)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |
MNX internals
| InChI (mnx) | InChI=1/C42H62O11/c1-10-23(2)37-26(5)16-17-41(53-37)21-31-19-30(52-41)15-14-25(4)36(51-34-20-33(46-8)35(43)28(7)49-34)24(3)12-11-13-29-22-48-39-38(47-9)27(6)18-32(40(44)50-31)42(29,39)45/h11-14,16-18,23-24,26,28,30-39,43,45H,10,15,19-22H2,1-9H3/b12-11+,25-14+,29-13+/t23?,24-,26-,28-,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,41+,42+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:10][CH:23]([CH3:2])[C@@H:37]1[C@@H:26]([CH3:5])[CH:16]=[CH:17][C@:41]2([CH2:21][C@@H:31]3[CH2:19][C@@H:30]([CH2:15]/[CH:14]=[C:25](\[CH3:4])[C@@H:36]([O:51][C@H:34]4[CH2:20][C@H:33]([O:46][CH3:8])[C@@H:35]([OH:43])[C@H:28]([CH3:7])[O:49]4)[C@@H:24]([CH3:3])/[CH:12]=[CH:11]/[CH:13]=[C:29]4\[CH2:22][O:48][C@@H:39]5[C@H:38]([O:47][CH3:9])[C:27]([CH3:6])=[CH:18][C@@H:32]([C:40](=[O:44])[O:50]3)[C@:42]45[OH:45])[O:52]2)[O:53]1 |
|