| Properties | Image |
|---|
| MNX_ID | MNXM41714 |
 |
| reference | chebi:181220 |
| formula | C40H54O5 |
| global charge | 0 |
| mol weight | 614.867 |
| InChIKey | NBAOGGCOLYTLDU-MEPQDIAVSA-N |
| InChI | InChI=1S/C40H54O5/c1-28(17-13-18-30(3)21-22-36-37(6,7)24-34(42)26-39(36,10)44)15-11-12-16-29(2)19-14-20-31(4)35(43)27-40(45)32(5)23-33(41)25-38(40,8)9/h11-21,23,34,42,44-45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22?,34-,39+,40+/m0/s1 |
| SMILES | CC1=CC(=O)CC(C)(C)[C@@]1(O)CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C1C(C)(C)C[C@H](O)C[C@@]1(C)O |
MNX internals
| InChI (mnx) | InChI=1/C40H54O5/c1-28(17-13-18-30(3)21-22-36-37(6,7)24-34(42)26-39(36,10)44)15-11-12-16-29(2)19-14-20-31(4)35(43)27-40(45)32(5)23-33(41)25-38(40,8)9/h11-21,23,34,42,44-45H,24-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t22?,34-,39+,40+/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:28](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:29]([CH3:2])\[CH:19]=[CH:14]\[CH:20]=[C:31](/[CH3:4])[C:35]([CH2:27][C@@:40]1([OH:45])[C:32]([CH3:5])=[CH:23][C:33](=[O:41])[CH2:25][C:38]1([CH3:8])[CH3:9])=[O:43])/[CH:17]=[CH:13]/[CH:18]=[C:30](\[CH3:3])[CH:21]=[C:22]=[C:36]1[C:37]([CH3:6])([CH3:7])[CH2:24][C@H:34]([OH:42])[CH2:26][C@@:39]1([CH3:10])[OH:44] |
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