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.beta.,.psi.-Carotene, 3',4'-didehydro-1',2'-dihydro-1'-hydroxy-2-(4-hydroxy-3-methyl-2-butenyl)-2'-(3-methyl-2-butenyl)-, [2R(E),2'S]-

View entire compound with spectra: 1 MS (GC)

.beta.,.psi.-Carotene, 3',4'-didehydro-1',2'-dihydro-1'-hydroxy-2-(4-hydroxy-3-methyl-2-butenyl)-2'-(3-methyl-2-butenyl)-, [2R(E),2'S]-
SpectraBase Compound ID 4F3cGTkuY37
InChI InChI=1S/C50H72O2/c1-38(2)27-32-47(50(12,13)52)34-28-42(6)25-18-24-41(5)23-16-21-39(3)19-14-15-20-40(4)22-17-26-43(7)30-36-48-45(9)31-35-46(49(48,10)11)33-29-44(8)37-51/h14-30,34,36,46-47,51-52H,31-33,35,37H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,34-28+,36-30+,39-19+,40-20+,41-23+,42-25+,43-26+,44-29+/t46-,47-/m0/s1
InChIKey ILPGXKRLKPWUDA-DZROYIDSSA-N
Mol Weight 705.1 g/mol
Molecular Formula C50H72O2
Exact Mass 704.553232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbJRZdIglJM
Name .beta.,.psi.-Carotene, 3',4'-didehydro-1',2'-dihydro-1'-hydroxy-2-(4-hydroxy-3-methyl-2-butenyl)-2'-(3-methyl-2-butenyl)-, [2R(E),2'S]-
Alternate Name(s) (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(5R)-5-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]-2,6,6-trimethylcyclohex-1-en-1-yl]-2,6,10,14,19,23-hexamethyl-3-(3-methylbut-2-en-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-ol (all-E,2R,2'R)-3',4'-didehydro-1',2'-dihydro-2-(4-hydroxy-3-methylbut-2-enyl)-2'-(3-methylbut-2-enyl)-.beta.,.psi.-carotin-1'-ol C.P. 473 (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(5R)-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethyl-1-cyclohexenyl]-2,6,10,14,19,23-hexamethyl-3-(3-methylbut-2-enyl)-2-pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaenol (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-25-[(5R)-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethylcyclohexen-1-yl]-2,6,10,14,19,23-hexamethyl-3-(3-methylbut-2-enyl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-ol (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-hexamethyl-3-(3-methylbut-2-enyl)-25-[(5R)-2,6,6-trimethyl-5-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexen-1-yl]pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-ol
CAS Registry Number 90139-11-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H72O2
InChI InChI=1S/C50H72O2/c1-38(2)27-32-47(50(12,13)52)34-28-42(6)25-18-24-41(5)23-16-21-39(3)19-14-15-20-40(4)22-17-26-43(7)30-36-48-45(9)31-35-46(49(48,10)11)33-29-44(8)37-51/h14-30,34,36,46-47,51-52H,31-33,35,37H2,1-13H3/b15-14+,21-16+,22-17+,24-18+,34-28+,36-30+,39-19+,40-20+,41-23+,42-25+,43-26+,44-29+/t46-,47-/m0/s1
InChIKey ILPGXKRLKPWUDA-DZROYIDSSA-N
Molecular Weight 705.124 g/mol
SMILES OC\C(=C\C[C@@]1(C(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=C\(\C=C\[C@@](C(O)(C)C)(CC=C(C)C)[H])C)C)C)C)C)=C(CC1)C)(C)C)[H])C
SPLASH splash10-052b-2900000000-7e4e06e88671067e3287
Source of Spectrum H-69-1511-1
Wiley ID 1415175