For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
5Alpha-androstan-3beta,17BETA-diol dibenzoate
SpectraBase Compound ID DY0tpHux9jY
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5pLr1Ve2s7V
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