| Properties | Image |
|---|
| MNX_ID | MNXM1172380 |
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| reference | envipathM:...3fce810ef2cf |
| formula | C40H54O5 |
| global charge | 0 |
| mol weight | 614.867 |
| InChIKey | VZUKIGDJKWXHNU-VOQMMMMUSA-N |
| InChI | InChI=1S/C40H54O5/c1-26(16-13-17-27(2)18-20-33-30(5)37(44)35(42)24-39(33,7)8)14-11-12-15-28(3)22-32(41)23-29(4)19-21-34-31(6)38(45)36(43)25-40(34,9)10/h11-21,23,32,35-36,41-43H,22,24-25H2,1-10H3/b12-11+,16-13+,20-18+,21-19+,26-14+,27-17+,28-15+,29-23+ |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC(O)/C=C(C)/C=C/C2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CC(O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C40H54O5/c1-26(16-13-17-27(2)18-20-33-30(5)37(44)35(42)24-39(33,7)8)14-11-12-15-28(3)22-32(41)23-29(4)19-21-34-31(6)38(45)36(43)25-40(34,9)10/h11-21,23,32,35-36,41-43H,22,24-25H2,1-10H3/b12-11+,16-13+,20-18+,21-19+,26-14+,27-17+,28-15+,29-23+/t32?,35?,36? |
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| SMILES (mnx) | [CH3:1][C:26](=[CH:14]\[CH:11]=[CH:12]\[CH:15]=[C:28](/[CH3:3])[CH2:22][CH:32](/[CH:23]=[C:29]([CH3:4])/[CH:19]=[CH:21]/[C:34]1=[C:31]([CH3:6])[C:38](=[O:45])[CH:36]([OH:43])[CH2:25][C:40]1([CH3:9])[CH3:10])[OH:41])/[CH:16]=[CH:13]/[CH:17]=[C:27]([CH3:2])/[CH:18]=[CH:20]/[C:33]1=[C:30]([CH3:5])[C:37](=[O:44])[CH:35]([OH:42])[CH2:24][C:39]1([CH3:7])[CH3:8] |
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