57780-81-1 (Estradiol Impurity 1,1S-(1a,3ab,4b,7aa)-4-2-(2,5-Dihydroxyphenyl)ethyloctahydro-1-hydroxy-7a-methyl-5H-inden-5-one)

CAS号:
57780-81-1
中文名称:
Estradiol Impurity 1
英文名称:
1S-(1a,3ab,4b,7aa)-4-2-(2,5-Dihydroxyphenyl)ethyloctahydro-1-hydroxy-7a-methyl-5H-inden-5-one
分子式:
C18H24O4
分子量:
304.380765914917

Estradiol Impurity 1(57780-81-1)名称与标识符

名称

中文别名:
雌二醇杂质1;雌二醇杂质2;
英文别名:
Estradiol Impurity 1;Estradiol Impurity;(1S,3aS,4S,7aS)-4-(2,5-dihydroxyphenethyl)-1-hydroxy-7a-methylhexahydro-1H-inden-5(6H)-one;1S-(1α,3aβ,4β,7aα)]-4-[2-(2,5-Dihydroxyphenyl)ethyl]octahydro-1-hydroxy-7a-methyl-5H-inden-5-one;Estradiol Impurity 2;

标识符

InChIKey:
URXOPPKRKXBFSM-USJZOSNVSA-N
Inchi:
1S/C18H24O4/c1-18-9-8-16(21)13(14(18)5-7-17(18)22)4-2-11-10-12(19)3-6-15(11)20/h3,6,10,13-14,17,19-20,22H,2,4-5,7-9H2,1H3/t13-,14-,17-,18-/m0/s1
SMILES:
[C@@H]1(O)[C@]2(C)[C@]([H])([C@H](CCC3=CC(O)=CC=C3O)C(=O)CC2)CC1

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