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孕酮-d9CAS号 : 15775-74-3 Compound CID : 71309321分子式: C21H21D9O2 分子量: 323.52IUPAC Name: (8S,9S,10R,13S,14S,17S)-2,2,4,6,6,17-hexadeuterio-10,13-dimethyl-17-(2,2,2-trideuterioacetyl)-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-oneSMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)CInChIKey: RJKFOVLPORLFTN-PQIPVKAESA-NInChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i1D3,4D2,8D2,12D,17D
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吡哆醇-(甲基-d₃)盐酸盐CAS号 : 1189921-12-7 Compound CID : 46782823分子式: C8H12ClNO3 分子量: 208.66IUPAC Name: 4,5-bis(hydroxymethyl)-2-(trideuteriomethyl)pyridin-3-ol;hydrochlorideSMILES: CC1=NC=C(C(=C1O)CO)CO.ClInChIKey: ZUFQODAHGAHPFQ-NIIDSAIPSA-NInChI: InChI=1S/C8H11NO3.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H/i1D3;
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普罗布考-丙酰基-¹³C3CAS号 : 1173019-29-8分子式: ¹³C3C28H48O2S2 分子量: 519.82SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)CInChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-NInChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
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磷酸(烯醇)丙酮酸单钠盐水合物CAS号 : 53823-68-0 Compound CID : 23679145分子式: C3H4NaO6P · xH2O 分子量: 190.02 (anhydrous basis)IUPAC Name: sodium;1-carboxyethenyl hydrogen phosphateSMILES: C=C(C(=O)O)OP(=O)(O)[O-].[Na+]InChIKey: NESXXUAWVHXRGX-UHFFFAOYSA-MInChI: InChI=1S/C3H5O6P.Na/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);/q;+1/p-1