7-Oxabicyclo[4.1.0]heptane, 8'-apo-.beta.,.psi.-carotenoic acid deriv.

SpectraBase Compound ID	CE2rwzZuKP1
InChI	InChI=1S/C31H42O4/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(33)34-8)15-11-16-25(3)19-20-31-29(5,6)21-27(32)22-30(31,7)35-31/h9-20,27,32H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,20-19+,23-13+,24-14-,25-16+,26-18+/t27-,30+,31-/m0/s1
InChIKey	BGVUGHVNAOZVOG-SIFTXYROSA-N Google Search
Mol Weight	478.7 g/mol
Molecular Formula	C31H42O4
Exact Mass	478.30831 g/mol

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SpectraBase Spectrum ID	3EW3Ittecah
Name	7-Oxabicyclo[4.1.0]heptane, 8'-apo-.beta.,.psi.-carotenoic acid deriv.
CAS Registry Number	123393-37-3
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C31H42O4
InChI	InChI=1S/C31H42O4/c1-23(13-9-10-14-24(2)17-12-18-26(4)28(33)34-8)15-11-16-25(3)19-20-31-29(5,6)21-27(32)22-30(31,7)35-31/h9-20,27,32H,21-22H2,1-8H3/b10-9+,15-11+,17-12+,20-19+,23-13+,24-14-,25-16+,26-18+/t27-,30+,31-/m0/s1
InChIKey	BGVUGHVNAOZVOG-SIFTXYROSA-N
Molecular Weight	478.673 g/mol
SMILES	O[C@]1(CC([C@]2([C@](C1)(C)O2)\C=C\C(=C\C=C\C(=C\C=C\C=C/(\C=C\C=C\(C(=O)OC)C)C)C)C)(C)C)[H]
SPLASH	splash10-004i-0003900000-572b6a4013af53412aeb
Source of Spectrum	H-71-1994-14
Synonyms	8'-Apo-.beta.,.psi.-carotenoic acid, 5,6-epoxy-5,6-dihydro-3-hydroxy-, methyl ester, (3S,5R,6S)- Methyl (1'S,2'R,4'S,all E)-17-(1',2'-epoxy-4'-hydroxy-2',6',6'-trimethylcyclohexyl)-2,6,11,15--tetramethylheptadeca 2,4,6,8,10,12,14,16-octaenate methyl (2E,4E,6Z,8E,10E,12E,14E,16E)-17-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,6,11,15-tetramethyl-2,4,6,8,10,12,14,16-heptadecaoctaenoate
Wiley ID	1394885