Chem
J-GLOBAL ID:200907001743490629
Nikkaji number:J2.211.920F
Crassostreaxanthin A
クラッソストレアキサンチンA
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C40 H54 O4
Molecular formula furigana:
C40-H54-O4
Molecular weight:
598.868
InChI:
InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-37-32(5)23-35(42)26-39(37,8)9)15-11-12-16-29(2)19-14-20-31(4)38(43)27-40(10)33(6)24-36(44-40)25-34(7)41/h11-20,33,35-36,42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33?,35-,36?,40?/m1/s1
InChI key:
KFNGKYUGHHQDEE-NIVGLBGKSA-N
SMILES:
CC1CC(CC(=O)C)OC1(C)CC(=O)/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C#CC1=C(C)C[C@@H](O)CC1(C)C)/C)/C
Systematic name (3):
3β-ヒドロキシ-7,8-ジデヒドロ-3′,6′-エポキシ-1′,2′,5′,6′,7′,8′-ヘキサヒドロ-6′-メチル-16′-ノル-β,ψ-カロテン-1′,8′-ジオン
(3E,5E,7E,9E,11E,13E,15E)-1-[2,3-ジメチル-5-(2-オキソプロピル)オキソラン-2-イル]-18-[(4R)-4-ヒドロキシ-2,6,6-トリメチルシクロヘキサ-1-エン-1-イル]-3,7,12,16-テトラメチルオクタデカ-3,5,7,9,11,13,15-ヘプタエン-17-イン-2-オン
(3E,5E,7E,9E,11E,13E,15E)-1-[2,3-dimethyl-5-(2-oxopropyl)oxolan-2-yl]-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one
Other name (3):
3β-Hydroxy-7,8-didehydro-3′,6′-epoxy-1′,2′,5′,6′,7′,8′-hexahydro-6′-methyl-16′-nor-β,ψ-carotene-1′,8′-dione
クラッソストレアキサンチンA
Crassostreaxanthin A
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