Chem
J-GLOBAL ID：200907067593351286   Nikkaji number：J1.170.520K

(3R,3′S)- Crassostreaxanthin B

(3R,3′S)-クラッソストレアキサンチンB
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： C40H54O4
Molecular formula furigana： C40-H54-O4
Molecular weight： 598.868
InChI： InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-38-34(7)24-37(43)27-40(38,9)10)15-11-12-16-29(2)19-14-20-31(4)39(44)25-33(6)32(5)23-36(42)26-35(8)41/h11-20,36-37,42-43H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,33-32+/t36-,37+/m0/s1
InChI key： LGLPDUBVWXHHHU-ZCJJJFIZSA-N
SMILES： CC(=O)C[C@@H](O)C/C(=C(\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)/C
Systematic name  (3)：
  • (3R,3′S)-6′-メチル-3,3′-ジヒドロキシ-7,8-ジデヒドロ-17′-ノル-β,ψ-カロテン-1′,8′(2′H,7′H)-ジオン
  • (4S,6E,10E,12E,14E,16E,18E,20E,22E)-4-ヒドロキシ-25-[(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]-6,7,10,14,19,23-ヘキサメチルペンタコサ-6,10,12,14,16,18,20,22-オクタエン-24-イン-2,9-ジオン
  • (4S,6E,10E,12E,14E,16E,18E,20E,22E)-4-hydroxy-25-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-6,7,10,14,19,23-hexamethylpentacosa-6,10,12,14,16,18,20,22-octaen-24-yne-2,9-dione
Other name (3)：
  • (3R,3′S)-6′-Methyl-3,3′-dihydroxy-7,8-didehydro-17′-nor-β,ψ-carotene-1′,8′(2′H,7′H)-dione
  • (3R,3′S)-クラッソストレアキサンチンB
  • (3R,3′S)- Crassostreaxanthin B
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