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13(2)(R)-Hydroxychlorophyllone a

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13(2)(R)-Hydroxychlorophyllone a
SpectraBase Compound ID 3mnWt10VVHI
InChI InChI=1S/C33H32N4O3/c1-7-18-14(3)21-11-23-16(5)20-9-10-27(38)33(40)29(30(20)36-23)31-28(32(33)39)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37,40H,1,8-10H2,2-6H3/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-/t16-,20-,33-/m0/s1
InChIKey BYAAWIHEOPCXLJ-BVWKVXKSSA-N
Mol Weight 532.6 g/mol
Molecular Formula C33H32N4O3
Exact Mass 532.247441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVy8LsAAftO
Name 13(2)(R)-Hydroxychlorophyllone a
Comments Less than 3 mono-isotopic peaks
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Formula C33H32N4O3
InChI InChI=1S/C33H32N4O3/c1-7-18-14(3)21-11-23-16(5)20-9-10-27(38)33(40)29(30(20)36-23)31-28(32(33)39)17(6)24(37-31)13-26-19(8-2)15(4)22(35-26)12-25(18)34-21/h7,11-13,16,20,34,37,40H,1,8-10H2,2-6H3/b21-11-,22-12-,23-11-,24-13-,25-12-,26-13-/t16-,20-,33-/m0/s1
InChIKey BYAAWIHEOPCXLJ-BVWKVXKSSA-N
Molecular Weight 532.644 g/mol
SMILES [nH]1c2c3[C@]4(C(CC[C@@]5(c3nc(cc3c(c(c(cc6nc(cc1c(c2C4=O)C)c(c6C)CC)[nH]3)C=C)C)[C@]5(C)[H])[H])=O)O
SPLASH splash10-001i-0000090000-0ac9e749e74ef9cfcd4e
Source of Spectrum J-61-2507-4
Synonyms (20R,24S,26S)-12-ethyl-20-hydroxy-6,11,26,27-tetramethyl-7-vinyl-2,16,28,29-tetraazaheptacyclo[15.7.1.1(3,24).1(5,8).1(10,13).1(15,18).0(20,25)]nonacosa-1,3,5,7,9,11,13(28),14,17(25),18(27)-decaene-19,21-dione 13(2)(R)-hydroxychlorophyllone A (wrong name?)
Wiley ID 1403655