![(-)-(1S,3aS,3bR,8aR,8bR,11S,11aS,13aR,14bR,16aS)-1,11-Di-tert-butoxy-11a,16a-dimethyl-2,3,3a,3b,4,5,7,8,8a,8b,9,10,11a,12,13,13a,14b,15,16,16a-eicosahydro-di-1H-indeno[4,5-a:4,5-j]anthracene](/api/spectrum/KgE1vJjM1QL/structure.png?h=300&w=458 "(-)-(1S,3aS,3bR,8aR,8bR,11S,11aS,13aR,14bR,16aS)-1,11-Di-tert-butoxy-11a,16a-dimethyl-2,3,3a,3b,4,5,7,8,8a,8b,9,10,11a,12,13,13a,14b,15,16,16a-eicosahydro-di-1H-indeno[4,5-a:4,5-j]anthracene")
| SpectraBase Compound ID | 3R0PND6ElZg |
|---|---|
| InChI | InChI=1S/C38H58O2/c1-35(2,3)39-33-15-13-31-27-11-9-23-21-24-10-12-28-26(30(24)22-29(23)25(27)17-19-37(31,33)7)18-20-38(8)32(28)14-16-34(38)40-36(4,5)6/h21-22,25-28,31-34H,9-20H2,1-8H3/t25-,26-,27-,28-,31+,32+,33+,34+,37+,38+/m1/s1 |
| InChIKey | ORSNUQSHLXXJOG-BOWIWJBSSA-N |
| Mol Weight | 546.9 g/mol |
| Molecular Formula | C38H58O2 |
| Exact Mass | 546.443681 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KgE1vJjM1QL |
|---|---|
| Name | (-)-(1S,3as,3br,8ar,8br,11S,11AS,13AR,14BR,16AS)-1,11-di-tert-butoxy-11A,16A-dimethyl-2,3,3A,3B,4,5,7,8,8A,8B,9,10,11A,12,13,13A,14B,15,16,16A-eicosahydro-di-1H-indeno[4,5-A:4,5-J]anthracene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 546.443681106 u |
| Formula | C38H58O2 |
| InChI | InChI=1S/C38H58O2/c1-35(2,3)39-33-15-13-31-27-11-9-23-21-24-10-12-28-26(30(24)22-29(23)25(27)17-19-37(31,33)7)18-20-38(8)32(28)14-16-34(38)40-36(4,5)6/h21-22,25-28,31-34H,9-20H2,1-8H3/t25-,26-,27-,28-,31+,32+,33+,34+,37+,38+/m1/s1 |
| InChIKey | ORSNUQSHLXXJOG-BOWIWJBSSA-N |
| Molecular Weight | 546.880 g/mol |
| SMILES | [C@@]12([C@]([C@@]3(CCC4=C([C@@]3(CC2)[H])C=C2[C@]3([C@@]([C@@]5(CC[C@@]([C@]5(CC3)C)(OC(C)(C)C)[H])[H])([H])CCC2=C4)[H])[H])(CC[C@@]1(OC(C)(C)C)[H])[H])C |