PFAS

全球PFAS筛查数据库

GCIS

CID 101936600

CAS号: 201045-20-7

IUPAC名称: (2R)-2-[(3R,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,6-dimethylhept-6-enoic acid

分子式: C33H52O5

分子量: 528.8

InChI: InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h20,22,25-28,35H,1,10-18H2,2-9H3,(H,36,37)/t20?,22-,25-,26+,27-,28+,31-,32-,33+/m1/s1

InChIKey: ZCMJUAGNOJTZBJ-MJWPTZKTSA-N

SMILES: CC(CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C)O)C(=O)O)C(=C)C

EINECS: -