(Q105369236)

English

(3R,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-30-(2-hydroxypropan-2-yl)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-enyl)tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,33-diol

chemical compound

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instance of

type of chemical entity

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subclass of

30-(2-Hydroxypropan-2-yl)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-enyl)tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,33-diol

1 reference

based on heuristic

inferred from SMILES

mass

722.563796228 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

monoanhydrobacterioruberin

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₀H₇₄O₃

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canonical SMILES

OC(C)(C)CCC(C=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC(CC=C(C)C)C(O)(C)C)C)C)C)C)C)C)C(O)(C)C

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isomeric SMILES

CC(C)=CC[C@H](/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/C=C(C)/C=C/[C@H](CCC(C)(C)O)C(C)(C)O)C(C)(C)O

0 references

found in taxon

Halobacterium salinarum

2 references

stated in

Bacterial Carotenoids. XXXI. C50-Carotenoids 5. Carotenoids of Halobacterium salinarium, Esperially Bacterioruberin.

stated in

Bacterial carotenoids. 31. C50-carotenoids 5. Carotenoids of Halobacterium salinarium, especially bacterioruberin

Identifiers

InChI

InChI=1S/C50H74O3/c1-39(2)31-34-46(49(11,12)52)35-32-44(7)29-19-27-42(5)25-17-23-40(3)21-15-16-22-41(4)24-18-26-43(6)28-20-30-45(8)33-36-47(50(13,14)53)37-38-48(9,10)51/h15-33,35-36,46-47,51-53H,34,37-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,35-32+,36-33+,40-21+,41-22+,42-25+,43-26+,44-29+,45-30+/t46-,47-/m1/s1

0 references

InChIKey

YZHIJCLHPFRXMT-SDLNUXJFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105369236)

(3R,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-30-(2-hydroxypropan-2-yl)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-enyl)tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,33-diol

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Identifiers

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