Chem
J-GLOBAL ID:200907086818453622
Nikkaji number:J540.503C
Estrone phosphate
エストロンホスファート
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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:
C18 H23 O5 P
Molecular formula furigana:
C18-H23-O5-P
Molecular weight:
350.351
InChI:
InChI=1S/C18H23O5P/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,20,21,22)/t14-,15-,16+,18+/m1/s1
InChI key:
XYNRXDLLYXFCRS-CBZIJGRNSA-N
SMILES:
C[C@]12CC[C@H]3[C@@H](CCc4cc(OP(=O)(O)O)ccc34)[C@@H]1CCC2=O
Systematic name (5):
エストロンホスファート
3-(ホスホノオキシ)エストラ-1,3,5(10)-トリエン-17-オン
りん酸(13β-メチル-17-オキソ-6,7,8β,9α,11,12,13,14α,15,16-デカヒドロ-17H-シクロペンタ[a]フェナントレン-3-イル)
{[(3aS,3bR,9bS,11aS)-11a-メチル-1-オキソ-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-イル]オキシ}ホスホン酸
{[(3aS,3bR,9bS,11aS)-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}phosphonic acid
Other name (4):
Estrone phosphate
3-(Phosphonooxy)estra-1,3,5(10)-trien-17-one
Estrone 3-phosphate
Phosphoric acid (13β-methyl-17-oxo-6,7,8β,9α,11,12,13,14α,15,16-decahydro-17H-cyclopenta[a]phenanthrene-3-yl) ester
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