| Properties | Image |
|---|
| MNX_ID | MNXM1186401 |
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| reference | envipathM:...2bf5a1b2b43f |
| formula | C40H54O5 |
| global charge | 0 |
| mol weight | 614.867 |
| InChIKey | XIFCISIVDDYRLL-ADEYBXEHSA-N |
| InChI | InChI=1S/C40H54O5/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)45-36(42)26-40(34,9)10/h11-20,22,24,35-36,41-42H,21,23,25-26H2,1-10H3/b12-11+,17-13+,18-14+,24-22+,27-15+,28-16+,29-19+,30-20+ |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CCC2=C(C)C(=O)C(O)CC2(C)C)C(C)(C)CC(O)OC1=O |
MNX internals
| InChI (mnx) | InChI=1/C40H54O5/c1-27(17-13-19-29(3)21-23-33-31(5)37(43)35(41)25-39(33,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-34-32(6)38(44)45-36(42)26-40(34,9)10/h11-20,22,24,35-36,41-42H,21,23,25-26H2,1-10H3/b12-11+,17-13+,18-14+,24-22+,27-15+,28-16+,29-19+,30-20+/t35?,36? |
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| SMILES (mnx) | [CH3:1][C:27](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:28]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:30]([CH3:4])\[CH:22]=[CH:24]\[C:34]1=[C:32]([CH3:6])[C:38](=[O:44])[O:45][CH:36]([OH:42])[CH2:26][C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:29](\[CH3:3])[CH2:21][CH2:23][C:33]1=[C:31]([CH3:5])[C:37](=[O:43])[CH:35]([OH:41])[CH2:25][C:39]1([CH3:7])[CH3:8] |
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