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3-Methoxy-1,2-didehydrocrinan-6,11-diol
SpectraBase Compound ID 9rrYbNc7rcT
InChI InChI=1S/C17H19NO5/c1-21-9-2-3-17-11-6-13-12(22-8-23-13)5-10(11)16(20)18(7-15(17)19)14(17)4-9/h2-3,5-6,9,14-16,19-20H,4,7-8H2,1H3/t9?,14-,15-,16+,17-/m1/s1
InChIKey ZSTPNQLNQBRLQF-QDJLXSJSSA-N
Mol Weight 317.34 g/mol
Molecular Formula C17H19NO5
Exact Mass 317.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4l02al0QHP8
Name 3-Methoxy-1,2-didehydrocrinan-6,11-diol
CAS Registry Number 545-66-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO5
InChI InChI=1S/C17H19NO5/c1-21-9-2-3-17-11-6-13-12(22-8-23-13)5-10(11)16(20)18(7-15(17)19)14(17)4-9/h2-3,5-6,9,14-16,19-20H,4,7-8H2,1H3/t9?,14-,15-,16+,17-/m1/s1
InChIKey ZSTPNQLNQBRLQF-QDJLXSJSSA-N
Molecular Weight 317.341 g/mol
SMILES O[C@@]1(CN2[C@]3([C@]1(c1c([C@@]2(O)[H])cc2c(c1)OCO2)C=CC(C3)OC)[H])[H]
SPLASH splash10-0159-2290000000-d641416076aa17c602e2
Source of Spectrum CD-113-0-0
Synonyms 3-Epihemanthidine Crinamine, 6-hydroxy- Crinan-6,11-diol, 1,2-didehydro-3-methoxy-, (3alpha,5alpha,6beta,11R,13beta,19alpha)- Hydroxycrinamine
Wiley ID 1317653