SpectraBase Compound ID | DY0tpHux9jY |
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InChI | InChI=1S/C33H40O4/c1-32-19-17-25(36-30(34)22-9-5-3-6-10-22)21-24(32)13-14-26-27-15-16-29(33(27,2)20-18-28(26)32)37-31(35)23-11-7-4-8-12-23/h3-12,24-29H,13-21H2,1-2H3/t24-,25-,26-,27-,28-,29-,32-,33-/m0/s1 |
InChIKey | ZBZNYSIAJDCKTD-QVQLJGKDSA-N |
Mol Weight | 500.7 g/mol |
Molecular Formula | C33H40O4 |
Exact Mass | 500.29266 g/mol |
SpectraBase Spectrum ID | 5pLr1Ve2s7V |
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Name | 5Alpha-androstan-3beta,17BETA-diol dibenzoate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 500.292659764 u |
Formula | C33H40O4 |
InChI | InChI=1S/C33H40O4/c1-32-19-17-25(36-30(34)22-9-5-3-6-10-22)21-24(32)13-14-26-27-15-16-29(33(27,2)20-18-28(26)32)37-31(35)23-11-7-4-8-12-23/h3-12,24-29H,13-21H2,1-2H3/t24-,25-,26-,27-,28-,29-,32-,33-/m0/s1 |
InChIKey | ZBZNYSIAJDCKTD-QVQLJGKDSA-N |
Molecular Weight | 500.679 g/mol |
SMILES | C1[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C[C@](C1)(OC(C=1C=CC=CC1)=O)[H])[H])[H])[H])(OC(=O)C=1C=CC=CC1)[H])C)[H])C |