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Vobtusine, 21'-oxo-
SpectraBase Compound ID C58pcvpr04e
InChI InChI=1S/C43H48N4O7/c1-51-29-9-5-7-27-32(29)47-23-38(18-24-19-40-21-31(48)54-30(40)10-14-45-16-12-42(27,36(40)45)43(24,47)50)22-46-15-11-41-26-6-3-4-8-28(26)44-33(41)25(34(49)52-2)20-39(35(41)46)13-17-53-37(38)39/h3-9,24-25,30,35-37,50H,10-23H2,1-2H3
InChIKey DCEOTWIDODPEGT-UHFFFAOYSA-N
Mol Weight 732.9 g/mol
Molecular Formula C43H48N4O7
Exact Mass 732.3523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tZxA2e5hWx
Name Vobtusine, 21'-oxo-
CAS Registry Number 19772-81-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H48N4O7
InChI InChI=1S/C43H48N4O7/c1-51-29-9-5-7-27-32(29)47-23-38(18-24-19-40-21-31(48)54-30(40)10-14-45-16-12-42(27,36(40)45)43(24,47)50)22-46-15-11-41-26-6-3-4-8-28(26)44-33(41)25(34(49)52-2)20-39(35(41)46)13-17-53-37(38)39/h3-9,24-25,30,35-37,50H,10-23H2,1-2H3
InChIKey DCEOTWIDODPEGT-UHFFFAOYSA-N
Molecular Weight 732.878 g/mol
SMILES OC12C34C5C6(CC2CC2(CN1c1c3cccc1OC)C1C3(CC(C(=O)OC)C=7C8(C3N(C2)CC8)c2c(cccc2)N7)CCO1)C(OC(C6)=O)CCN5CC4
SPLASH splash10-06si-0000320900-d7cafce2a6191eb552e1
Source of Spectrum H-60-2855-1
Synonyms 21'-oxo-1,2-didehydro-2,3-dihydrovobtusine 21'-Oxovobtusine Spiro[1H,15aH-furo[2',3':7,8]indolizino[8,1-cd]carbazole-2(2aH),6'(7'H)-[4H,5H,15aH,16H]furo[2',3':7,8]indolizino[8,1-cd]pyrido[1,2,3-lm]carbazole], vobtusine deriv. Vobtusine lactone NSC 180538
Wiley ID 1415953