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

*Links on SpectraBase are not permalinks.
2-Methoxyestradiol, 3,17.beta.-diacetate
SpectraBase Compound ID JKpMKbmODQc
InChI InChI=1S/C23H30O5/c1-13(24)27-21-11-15-5-6-17-16(18(15)12-20(21)26-4)9-10-23(3)19(17)7-8-22(23)28-14(2)25/h11-12,16-17,19,22H,5-10H2,1-4H3/t16-,17+,19-,22-,23-/m0/s1
InChIKey JAEBGPSCSOGTSV-JIAAILLZSA-N
Mol Weight 386.49 g/mol
Molecular Formula C23H30O5
Exact Mass 386.209324 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 2AFah9BI3vw
Name 2-Methoxyestradiol, 3,17.beta.-diacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.209324061 u
Formula C23H30O5
InChI InChI=1S/C23H30O5/c1-13(24)27-21-11-15-5-6-17-16(18(15)12-20(21)26-4)9-10-23(3)19(17)7-8-22(23)28-14(2)25/h11-12,16-17,19,22H,5-10H2,1-4H3/t16-,17+,19-,22-,23-/m0/s1
InChIKey JAEBGPSCSOGTSV-JIAAILLZSA-N
Molecular Weight 386.488 g/mol
SMILES C1(=C(C=C2C(=C1)CC[C@]1([C@@]3(CC[C@@]([C@@]3(C)CC[C@]21[H])(OC(C)=O)[H])[H])[H])OC)OC(C)=O