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Naphtho[1,2-b]furan-2,5(3H,4H)-dione, 6-(acetyloxy)octahydro-3,5a-dimethyl-9-methylene-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-
SpectraBase Compound ID CXmMtxImxHW
InChI InChI=1S/C17H22O5/c1-8-5-6-13(21-10(3)18)17(4)12(19)7-11-9(2)16(20)22-15(11)14(8)17/h9,11,13-15H,1,5-7H2,2-4H3/t9-,11-,13+,14+,15-,17-/m0/s1
InChIKey IRBQILUMHMBWFA-ZBLRSCNVSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5v8xhj0BPXP
Name Naphtho[1,2-b]furan-2,5(3H,4H)-dione, 6-(acetyloxy)octahydro-3,5a-dimethyl-9-methylene-, [3S-(3.alpha.,3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.)]-
Alternate Name(s) (3S,3aS,5aR,6R,9aS,9bS)-3,5a-dimethyl-9-methylene-2,5-dioxododecahydronaphtho[1,2-b]furan-6-yl acetate 1-Acetyl-.beta.-cyclodehydroherbolide B
CAS Registry Number 66527-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-8-5-6-13(21-10(3)18)17(4)12(19)7-11-9(2)16(20)22-15(11)14(8)17/h9,11,13-15H,1,5-7H2,2-4H3/t9-,11-,13+,14+,15-,17-/m0/s1
InChIKey IRBQILUMHMBWFA-ZBLRSCNVSA-N
Molecular Weight 306.358 g/mol
SMILES [C@]12([C@@]([C@]3(OC(=O)[C@]([C@@]3(CC2=O)[H])(C)[H])[H])(C(=C)CC[C@]1(OC(=O)C)[H])[H])C
SPLASH splash10-01pk-0091000000-b44d1bcb23ec3f1ef65c
Source of Spectrum F-33-2840-0
Wiley ID 1308059