Chem
J-GLOBAL ID:200907077116302864
Nikkaji number:J1.148G
7,8,9,10-Tetrahydrobenzo[a]pyrene-7β,8α,9α-triol
7,8,9,10-テトラヒドロベンゾ[a]ピレン-7β,8α,9α-トリオール
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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:
C20 H16 O3
Molecular formula furigana:
C20-H16-O3
Molecular weight:
304.345
InChI:
InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1
InChI key:
GFANZDFKCCJYRF-NSISKUIASA-N
SMILES:
O[C@@H]1Cc2c(cc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O
Systematic name (4):
(7R)-7,8,9,10-テトラヒドロベンゾ[a]ピレン-7β,8α,9α-トリオール
7,8,9,10-テトラヒドロベンゾ[a]ピレン-7β,8α,9α-トリオール
(4R,5R,6R)-ペンタシクロ[10.6.2.02,7 .09,19 .016,20 ]イコサ-1(18),2(7),8,10,12,14,16,19-オクタエン-4,5,6-トリオール
(4R,5R,6R)-pentacyclo[10.6.2.02,7 .09,19 .016,20 ]icosa-1(18),2(7),8,10,12,14,16,19-octaene-4,5,6-triol
Other name (1):
7,8,9,10-Tetrahydrobenzo[a]pyrene-7β,8α,9α-triol
CAS registry number:
75110-15-5
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