(Q105212210)

English

(2R,3R,4R,5R,6S)-2-[(1R)-4-[(1E,3E,5E,7E,9Z,11Z,13Z,15Z,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-methyloxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

2-[4-[18-(4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-({4-[(11Z,13Z,15Z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-({4-[(11Z)-18-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-3,5,5-trimethylcyclohex-3-en-1-yl}oxy)-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

714.485939832 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(9Z,3R,3'R)-3'-(alpha-L-rhamnopyranosyloxy)-beta,beta-carotene-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3R,3'R)-3'-(alpha-L-Rhamnopyranosyloxy)-beta,beta-caroten-3-ol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,4R,5R,6S)-2-[(1R)-4-[(1E,3Z,5Z,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-methyloxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3R,4R,5R,6S)-2-[(1R)-4-[(1E,3E,5E,7E,9Z,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-methyloxane-3,4,5-triol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3R,4R,5R,6S)-2-[(1R)-4-[(1E,3E,5E,7E,9Z,11Z,13E,15Z,17Z)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(3R,3'R)-3'-(alpha-L-Rhamnopyranosyloxy)-beta,beta-carotene-3-ol

1 reference

based on heuristic

inferred from InChI

(2S,3R,4R,5R,6S)-2-[(1R)-4-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3S,4R,5R,6S)-2-[(1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₆₆O₆

0 references

canonical SMILES

OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CC(OC3OC(C)C(O)C(O)C3O)CC2(C)C)C)C)C)C)C(C)(C)C1)C

0 references

isomeric SMILES

CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)CC2(C)C)C(C)(C)C[C@H](O)C1

0 references

found in taxon

Sulfolobus shibatae

1 reference

stated in

Isolation and Structure Elucidation of Carotenoid Glycosides from the Thermoacidophilic ArchaeaSulfolobus shibatae

Identifiers

InChI

InChI=1S/C46H66O6/c1-30(18-14-20-32(3)22-24-39-34(5)26-37(47)28-45(39,8)9)16-12-13-17-31(2)19-15-21-33(4)23-25-40-35(6)27-38(29-46(40,10)11)52-44-43(50)42(49)41(48)36(7)51-44/h12-25,36-38,41-44,47-50H,26-29H2,1-11H3/b13-12-,18-14-,19-15+,24-22+,25-23+,30-16-,31-17+,32-20-,33-21+/t36-,37+,38+,41-,42+,43+,44-/m0/s1

0 references

InChIKey

PNUMJYSPLIEPOC-WBSCVRBLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PNUMJYSPLIEPOC-WBSCVRBLSA-N

(Q105212210)

(2R,3R,4R,5R,6S)-2-[(1R)-4-[(1E,3E,5E,7E,9Z,11Z,13Z,15Z,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-6-methyloxane-3,4,5-triol

Statements

Identifiers

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