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(S)-5-Benzyloxycarbonylamino-6-(3,6,7-trimethoxyphenanthren-9-yl)hexa-3-enyl acetate

View entire compound with spectra: 1 MS (GC)

(S)-5-Benzyloxycarbonylamino-6-(3,6,7-trimethoxyphenanthren-9-yl)hexa-3-enyl acetate
SpectraBase Compound ID L1yFC6pjTrZ
InChI InChI=1S/C33H35NO7/c1-22(35)40-15-9-8-12-26(34-33(36)41-21-23-10-6-5-7-11-23)17-25-16-24-13-14-27(37-2)18-28(24)30-20-32(39-4)31(38-3)19-29(25)30/h5-8,10-14,16,18-20,26H,9,15,17,21H2,1-4H3,(H,34,36)/b12-8+/t26-/m1/s1
InChIKey WYPHOZJGZWTARK-XVMYRHOCSA-N
Mol Weight 557.6 g/mol
Molecular Formula C33H35NO7
Exact Mass 557.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5urXms47ae7
Name (S)-5-Benzyloxycarbonylamino-6-(3,6,7-trimethoxyphenanthren-9-yl)hexa-3-enyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H35NO7
InChI InChI=1S/C33H35NO7/c1-22(35)40-15-9-8-12-26(34-33(36)41-21-23-10-6-5-7-11-23)17-25-16-24-13-14-27(37-2)18-28(24)30-20-32(39-4)31(38-3)19-29(25)30/h5-8,10-14,16,18-20,26H,9,15,17,21H2,1-4H3,(H,34,36)/b12-8+/t26-/m1/s1
InChIKey WYPHOZJGZWTARK-XVMYRHOCSA-N
Molecular Weight 557.643 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@](Cc1c2c(c3c(c1)ccc(c3)OC)cc(c(OC)c2)OC)(\C=C\CCOC(=O)C)[H]
SPLASH splash10-001i-2090000000-f7c756cf3e295021d863
Source of Spectrum F-69-3148-19
Synonyms (3E,5S)-5-{[(benzyloxy)carbonyl]amino}-6-(3,6,7-trimethoxy-9-phenanthryl)-3-hexenyl acetate Acetic acid[(E,5S)-5-(benzyloxycarbonylamino)-6-(3,6,7-trimethoxy-9-phenanthryl)hex-3-enyl]ester Acetic acid[(E,5S)-5-(phenylmethoxycarbonylamino)-6-(3,6,7-trimethoxy-9-phenanthrenyl)hex-3-enyl]ester [(E,5S)-5-(benzyloxycarbonylamino)-6-(3,6,7-trimethoxy-9-phenanthryl)hex-3-enyl]acetate [(E,5S)-5-(phenylmethoxycarbonylamino)-6-(3,6,7-trimethoxyphenanthren-9-yl)hex-3-enyl]acetate [(E,5S)-5-(phenylmethoxycarbonylamino)-6-(3,6,7-trimethoxyphenanthren-9-yl)hex-3-enyl]ethanoate Acetic acid [(E,5S)-5-(phenylmethoxycarbonylamino)-6-(3,6,7-trimethoxy-9-phenanthrenyl)hex-3-enyl] ester [(E,5S)-5-(phenylmethoxycarbonylamino)-6-(3,6,7-trimethoxyphenanthren-9-yl)hex-3-enyl] acetate [(E,5S)-5-(benzyloxycarbonylamino)-6-(3,6,7-trimethoxy-9-phenanthryl)hex-3-enyl] acetate [(E,5S)-5-(phenylmethoxycarbonylamino)-6-(3,6,7-trimethoxyphenanthren-9-yl)hex-3-enyl] ethanoate
Wiley ID 1594947