(Q63396115)

English

(3E,5E,7E,9E,11E,13E,15E,17E)-1-[(2S,3R,5R)-2,3-dimethyl-5-(2-oxopropyl)oxolan-2-yl]-18-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1-[2,3-Dimethyl-5-(2-oxopropyl)oxolan-2-yl]-18-(2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl)-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

616.412774892 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₅

0 references

canonical SMILES

O=C(C(=CC=CC(=CC=CC=C(C=CC=C(C=CC12OC(CC1(O)C)CC2(C)C)C)C)C)C)CC3(OC(CC(=O)C)CC3C)C

0 references

isomeric SMILES

C[C@@H]1C[C@@H](O[C@@]1(C)CC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]23[C@](C[C@@H](O2)CC3(C)C)(C)O)/C)/C)CC(=O)C

0 references

found in taxon

Crassostrea gigas

1 reference

stated in

Structures of five new carotenoids from the oyster Crassostrea gigas

Identifiers

InChI

InChI=1S/C40H56O5/c1-28(17-13-18-30(3)21-22-40-37(7,8)25-35(45-40)26-39(40,10)43)15-11-12-16-29(2)19-14-20-31(4)36(42)27-38(9)32(5)23-34(44-38)24-33(6)41/h11-22,32,34-35,43H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t32-,34-,35+,38+,39-,40-/m1/s1

0 references

InChIKey

YCHOPPKXFCUQHM-YTVYXYHESA-N

0 references

CAS Registry Number

256505-51-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

10865038

1 reference

matched by identifier from

InChIKey

YCHOPPKXFCUQHM-YTVYXYHESA-N

1 reference

MassBank accession ID

MSBNK-Kyoto_Univ-CA000035

0 references

DSSTox substance ID

DTXSID501098100

1 reference

matched by identifier from

InChIKey

YCHOPPKXFCUQHM-YTVYXYHESA-N

KNApSAcK ID

C00057293

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YCHOPPKXFCUQHM-YTVYXYHESA-N

UNII

CN8A777SPJ

1 reference

matched by identifier from

InChIKey

YCHOPPKXFCUQHM-YTVYXYHESA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

retrieved

15 January 2022

InChIKey

YCHOPPKXFCUQHM-YTVYXYHESA-N

(Q63396115)

(3E,5E,7E,9E,11E,13E,15E,17E)-1-[(2S,3R,5R)-2,3-dimethyl-5-(2-oxopropyl)oxolan-2-yl]-18-[(1R,2R,4S)-2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

Statements

Identifiers

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