WQR
Summary
| Name: | 3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al |
| Formula: | C30 H48 O2 |
| Formal charge: | 0 |
| Formula weight: | 440.701 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3beta-hydroxy-10alpha,13alpha-lanosta-8,24-dien-30-al |
| OpenEye OEToolkits | 2.0.7 | (3~{S},5~{R},10~{S},13~{R},14~{S},17~{R})-4,4,10,13-tetramethyl-17-[(2~{R})-6-methylhept-5-en-2-yl]-3-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthrene-14-carbaldehyde |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C/C(C)=C\CCC(C)C1CCC2(C=O)C=3CCC4C(C)(CCC(O)C4(C)C)C=3CCC12C |
| InChI | InChI | 1.06 | InChI=1S/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22-,25+,26+,28-,29-,30-/m1/s1 |
| InChIKey | InChI | 1.06 | PGGIMLIQOHYFIS-PUXRVUTHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2(C=O)C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3 |
| SMILES | CACTVS | 3.385 | C[CH](CCC=C(C)C)[CH]1CC[C]2(C=O)C3=C(CC[C]12C)[C]4(C)CC[CH](O)C(C)(C)[CH]4CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(CCC=C(C)C)C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C=O |
