(Q113948913)

English

(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

chemical compound

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type of chemical entity

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1 reference

714.4859398320002 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(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

(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

(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

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

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

(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

1 reference

based on heuristic

inferred from InChI

(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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₆H₆₆O₆

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(OC2OC(C)C(O)C(O)C2O)CC1(C)C

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@@H]2CC(=C(C(C2)(C)C)/C=C/C(=C/C=C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C3=C(C[C@H](CC3(C)C)O)C)/C)/C)C)O)O)O

1 reference

based on heuristic

inferred from SMILES

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

1 reference

based on heuristic

inferred from SMILES

InChIKey

PNUMJYSPLIEPOC-IQSOXKHZSA-N

0 references

PubChem CID

162961374

1 reference

matched by identifier from

InChIKey

PNUMJYSPLIEPOC-IQSOXKHZSA-N

LIPID MAPS ID

LMPR01070688

0 references

(Q113948913)

(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

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