| Properties | Image |
|---|
| MNX_ID | MNXM62693 |
 |
| reference | chebi:80020 |
| formula | C29H47NO6 |
| global charge | 0 |
| mol weight | 505.696 |
| InChIKey | XUBWLMQSFCTODE-UCOIGXIWSA-N |
| InChI | InChI=1S/C29H47NO6/c1-9-25-18(2)12-10-11-13-24(31)20(4)16-21(5)28(19(3)14-15-26(32)35-25)36-29-27(33)23(30(7)8)17-22(6)34-29/h10-15,18-23,25,27-29,33H,9,16-17H2,1-8H3/b12-10+,13-11+,15-14+/t18-,19-,20+,21-,22+,23-,25+,27+,28+,29-/m0/s1 |
| SMILES | CC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1C |
MNX internals
| InChI (mnx) | InChI=1/C29H47NO6/c1-9-25-18(2)12-10-11-13-24(31)20(4)16-21(5)28(19(3)14-15-26(32)35-25)36-29-27(33)23(30(7)8)17-22(6)34-29/h10-15,18-23,25,27-29,33H,9,16-17H2,1-8H3/b12-10+,13-11+,15-14+/t18-,19-,20+,21-,22+,23-,25+,27+,28+,29-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH2:9][C@@H:25]1[C@@H:18]([CH3:2])/[CH:12]=[CH:10]/[CH:11]=[CH:13]/[C:24](=[O:31])[C@H:20]([CH3:4])[CH2:16][C@H:21]([CH3:5])[C@H:28]([O:36][C@H:29]2[C@H:27]([OH:33])[C@@H:23]([N:30]([CH3:7])[CH3:8])[CH2:17][C@@H:22]([CH3:6])[O:34]2)[C@@H:19]([CH3:3])/[CH:14]=[CH:15]/[C:26](=[O:32])[O:35]1 |
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