![Androstan-3-one, 17-octanyl-2-[17-octanyl-2-androsten-3-yl]-](/api/spectrum/Kan6Djfq7NR/structure.png?h=300&w=458 "Androstan-3-one, 17-octanyl-2-[17-octanyl-2-androsten-3-yl]-")
| SpectraBase Compound ID | 7bhJX1da0gF |
|---|---|
| InChI | InChI=1S/C54H90O/c1-7-9-11-13-15-17-19-39-23-27-46-43-25-21-41-35-38(29-32-53(41,5)48(43)30-33-51(39,46)3)45-37-54(6)42(36-50(45)55)22-26-44-47-28-24-40(20-18-16-14-12-10-8-2)52(47,4)34-31-49(44)54/h29,39-49H,7-28,30-37H2,1-6H3/t39?,40?,41?,42?,43-,44+,45?,46-,47+,48-,49+,51+,52-,53-,54+/m1/s1 |
| InChIKey | WAZLHJFTRYWOGA-AOKFRKHLSA-N |
| Mol Weight | 755.3 g/mol |
| Molecular Formula | C54H90O |
| Exact Mass | 754.699168 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kan6Djfq7NR |
|---|---|
| Name | Androstan-3-one, 17-octanyl-2-[17-octanyl-2-androsten-3-yl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 754.699167517 u |
| Formula | C54H90O |
| InChI | InChI=1S/C54H90O/c1-7-9-11-13-15-17-19-39-23-27-46-43-25-21-41-35-38(29-32-53(41,5)48(43)30-33-51(39,46)3)45-37-54(6)42(36-50(45)55)22-26-44-47-28-24-40(20-18-16-14-12-10-8-2)52(47,4)34-31-49(44)54/h29,39-49H,7-28,30-37H2,1-6H3/t39?,40?,41?,42?,43-,44+,45?,46-,47+,48-,49+,51+,52-,53-,54+/m1/s1 |
| InChIKey | WAZLHJFTRYWOGA-AOKFRKHLSA-N |
| Molecular Weight | 755.313 g/mol |
| SMILES | C1(=CC[C@@]2(C(C1)CC[C@]1([C@]2(CC[C@@]2([C@@]1(CCC2CCCCCCCC)[H])C)[H])[H])C)C1C(CC2CC[C@@]3([C@@]([C@]2(C1)C)(CC[C@]1([C@]3(CCC1CCCCCCCC)[H])C)[H])[H])=O |