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PREGN-16-EN-20-ONE, 11,18-BIS(ACETYLOXY)-3,9-EPOXY-3-METHOXY-, (3alpha,5beta,11alpha)-
SpectraBase Compound ID 7LqPTRNjudq
InChI InChI=1S/C26H36O7/c1-15(27)19-8-9-20-21-7-6-18-12-25(30-5)11-10-23(18,4)26(21,33-25)22(32-17(3)29)13-24(19,20)14-31-16(2)28/h8,18,20-22H,6-7,9-14H2,1-5H3/t18-,20?,21?,22?,23+,24?,25-,26+/m0/s1
InChIKey CUJSJTVPMKQQMG-UHFFFAOYSA-N
Mol Weight 460.6 g/mol
Molecular Formula C26H36O7
Exact Mass 460.246103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C4pEJwruvrI
Name Pregn-16-en-20-one, 11,18-bis(acetyloxy)-3,9-epoxy-3-methoxy-, (3.alpha.,5.beta.,11.alpha.)-
CAS Registry Number 30384-39-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O7
InChI InChI=1S/C26H36O7/c1-15(27)19-8-9-20-21-7-6-18-12-25(30-5)11-10-23(18,4)26(21,33-25)22(32-17(3)29)13-24(19,20)14-31-16(2)28/h8,18,20-22H,6-7,9-14H2,1-5H3/t18-,20?,21?,22?,23+,24?,25-,26+/m0/s1
InChIKey CUJSJTVPMKQQMG-UHFFFAOYSA-N
Molecular Weight 460.567 g/mol
SMILES [C@]12(O[C@@]34[C@](CC2)([C@@](CCC4C2C(CC3OC(=O)C)(C(=CC2)C(=O)C)COC(=O)C)(C1)[H])C)OC
SPLASH splash10-0006-6932000000-3bb44ff80fd4394dfd34
Wiley ID 1485766