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Cephalotaxine, 4-methyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester), [3(2R,3S)]-
SpectraBase Compound ID G0yggg6R7kX
InChI InChI=1S/C28H37NO9/c1-16(2)6-9-28(33,24(30)25(31)35-4)26(32)38-23-21(34-3)14-27-8-5-10-29(27)11-7-17-12-19-20(37-15-36-19)13-18(17)22(23)27/h12-14,16,22-24,30,33H,5-11,15H2,1-4H3
InChIKey CAOHZEUEVKYHPF-UHFFFAOYSA-N
Mol Weight 531.6 g/mol
Molecular Formula C28H37NO9
Exact Mass 531.246832 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsmZkbiP8VQ
Name Cephalotaxine, 4-methyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester), [3(2R,3S)]-
CAS Registry Number 26833-86-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H37NO9
InChI InChI=1S/C28H37NO9/c1-16(2)6-9-28(33,24(30)25(31)35-4)26(32)38-23-21(34-3)14-27-8-5-10-29(27)11-7-17-12-19-20(37-15-36-19)13-18(17)22(23)27/h12-14,16,22-24,30,33H,5-11,15H2,1-4H3
InChIKey CAOHZEUEVKYHPF-UHFFFAOYSA-N
Molecular Weight 531.602 g/mol
SMILES OC(C(C(OC1C2C3(CCCN3CCc3c2cc2OCOc2c3)C=C1OC)=O)(CCC(C)C)O)C(OC)=O
SPLASH splash10-0002-6590000000-fc12c8b8e249f77d3146
Source of Spectrum AD-0-3607-0
Synonyms 4H-Cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepine, cephalotaxine deriv. 4-Methylcephalotaxine 2,3-dihydroxy-2-(3-methylbutyl)butanedioate ester Cephalotaxine, 4-methyl (2R,3S)-2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester) Cephalotaxine, 4-methyl 2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester) Cephalotaxine, 4-methyl-2,3-dihydroxy-2-(3-methylbutyl)butanedioate (ester), (3-(2R,3S))- Isoharringtonine NSC 141634
Wiley ID 63888