| Properties | Image |
|---|
| MNX_ID | MNXM13310 |
 |
| reference | metacycM:CPD-7415 |
| formula | C40H56O |
| global charge | 0 |
| mol weight | 552.887 |
| InChIKey | OYMLZZKQOAPEGO-DDNVNVBGSA-N |
| InChI | InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,28,36-38,41H,15,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37-,38-/m0/s1 |
| SMILES | CC1=CCCC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]1C(C)=C[C@H](O)CC1(C)C |
MNX internals
| InChI (mnx) | InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,28,36-38,41H,15,27,29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-,37-,38-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][C:30](=[CH:16]\[CH:11]=[CH:12]\[CH:17]=[C:31]([CH3:2])\[CH:19]=[CH:14]\[CH:21]=[C:33]([CH3:4])\[CH:24]=[CH:26]\[C@H:38]1[C:35]([CH3:6])=[CH:28][C@H:36]([OH:41])[CH2:29][C:40]1([CH3:9])[CH3:10])/[CH:18]=[CH:13]/[CH:20]=[C:32]([CH3:3])/[CH:23]=[CH:25]/[C@H:37]1[C:34]([CH3:5])=[CH:22][CH2:15][CH2:27][C:39]1([CH3:7])[CH3:8] |
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