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Crispatine
SpectraBase Compound ID 4yxW9BZEBGV
InChI InChI=1S/C16H23NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h4,9-10,12-13,20H,5-8H2,1-3H3
InChIKey PSUFRPOAICRSTC-UHFFFAOYSA-N
Mol Weight 309.36 g/mol
Molecular Formula C16H23NO5
Exact Mass 309.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bETkuqjxpZ
Name Crispatine
Alternate Name(s) 20-Norcrotalanan-11,15-dione, 14,19-dihydro-13-hydroxy-, (14alpha)- AI3-51767 NSC 89933
CAS Registry Number 6029-88-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NO5
InChI InChI=1S/C16H23NO5/c1-9-14(18)21-8-11-4-6-17-7-5-12(13(11)17)22-15(19)10(2)16(9,3)20/h4,9-10,12-13,20H,5-8H2,1-3H3
InChIKey PSUFRPOAICRSTC-UHFFFAOYSA-N
Molecular Weight 309.362 g/mol
SMILES OC1(C(C(=O)OCC=2C3C(OC(=O)C1C)CCN3CC2)C)C
SPLASH splash10-00ku-2910000000-d9837e165c39139cf02b
Source of Spectrum B-41-436-1
Wiley ID 1310605