Catalog Number:
AG008SSJ
Chemical Name:
1-Naphthaleneheptanoic acid,8-(2,2-dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-b,d-dihydroxy-2,6-dimethyl-, monosodium salt, [1S-[1a(bS*,dS*),2a,6b,8b,8aa]]-
CAS Number:
101314-97-0
Molecular Formula:
C25H40NaO6-
Molecular Weight:
459.5713
MDL Number:
MFCD04974206
IUPAC Name:
sodium;(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
InChI:
InChI=1S/C25H40O6.Na/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29;/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29);/q;+1/p-1/t15-,16-,18+,19+,20-,21-,23-;/m0./s1
InChI Key:
RLWRROYWKHUVKF-OKDJMAGBSA-M
SMILES:
CCC(C(=O)O[C@H]1C[C@@H](C)C=C2C1[C@@H](CCC(C[C@H](CC(=O)[O-])O)O)[C@H](C=C2)C)(C)C.[NaH]
