| Properties | Image |
|---|
| MNX_ID | MNXM147726 |
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| reference | metacycM:CPD-17662 |
| formula | C40H54O4 |
| global charge | 0 |
| mol weight | 598.868 |
| InChIKey | GCRJKTDIGQEUQY-BNIOOLKBSA-N |
| InChI | InChI=1S/C40H54O4/c1-27(17-13-19-29(3)21-23-34-31(5)25-33(41)26-39(34,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-35-32(6)36(42)37(43)38(44)40(35,9)10/h11-24,33,37-38,41,43-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t33?,37?,38-/m0/s1 |
| SMILES | CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)C(O)[C@H](O)C2(C)C)C(C)(C)CC(O)C1 |
MNX internals
| InChI (mnx) | InChI=1/C40H54O4/c1-27(17-13-19-29(3)21-23-34-31(5)25-33(41)26-39(34,7)8)15-11-12-16-28(2)18-14-20-30(4)22-24-35-32(6)36(42)37(43)38(44)40(35,9)10/h11-24,33,37-38,41,43-44H,25-26H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,27-15+,28-16+,29-19+,30-20+/t33?,37?,38-/m0/s1 |
 |
| 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:35]1=[C:32]([CH3:6])[C:36](=[O:42])[CH:37]([OH:43])[C@H:38]([OH:44])[C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:29]([CH3:3])/[CH:21]=[CH:23]/[C:34]1=[C:31]([CH3:5])[CH2:25][CH:33]([OH:41])[CH2:26][C:39]1([CH3:7])[CH3:8] |
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