| SpectraBase Spectrum ID |
HK3noawXCZb |
| Name |
.psi.,.psi.-Carotene, 1,3,3',4,4',16-hexadehydro-1,2-dihydro-2,2'-bis(3-methyl-2-butenyl)-, (2S)- |
| Alternate Name(s) |
(2'S)-.delta.-1-tetraanhydrobacterioruberin
(5S,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,33E)-2,8,12,16,21,25,29,35-octamethyl-5,32-bis(propan-2-yl)hexatriaconta-2,8,10,12,14,16,18,20,22,24,26,28,33-tridecaen-6,30-diyne
Semisynthetic tetraanhydrobacterioruberin (method b) |
| CAS Registry Number |
73365-74-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C50H68 |
| InChI |
InChI=1S/C50H68/c1-39(2)31-35-49(41(5)6)37-33-47(13)29-19-27-45(11)25-17-23-43(9)21-15-16-22-44(10)24-18-26-46(12)28-20-30-48(14)34-38-50(42(7)8)36-32-40(3)4/h15-32,35,39,41-42,49-50H,36H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,35-31+,43-21+,44-22+,45-25+,46-26+,47-29+,48-30+/t49?,50-/m1/s1 |
| InChIKey |
RZNNAPKQEFHFJP-QDRIFLCNSA-N |
| Molecular Weight |
669.094 g/mol |
| SMILES |
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[C@@](CC=C(C)C)(C(C)C)[H])C)C)C)C)C)C)C(\C=C\C(C)C)C(C)C |
| SPLASH |
splash10-014l-9000021000-ec20d40bcbbbbaf2155b |
| Source of Spectrum |
SB-33-557-0 |
| Wiley ID |
1413883 |
