Description
IUPAC Name: (1R,2S,4S,5’R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-5′,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2′-oxane]-15,16-diol
InChI: InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22-,23+,24+,25+,26+,27-/m1/s1
InChIKey: FWCXELAAYFYCSR-RYKNUXCGSA-N
Canonical SMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1
Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O)O)C)C)C)OC1
Synonyms: Gitogenin; 511-96-6; (25R)-5alpha-Spirostan-2alpha,3beta-diol; Digin; Spirostan-2,3-diol, (2a,3b,5a,25R)-; 60ZMY8IH51; CHEBI:5363; Spirostan-2,3-diol, (2alpha,3beta,5alpha,25R)-; …
Botanical Source: Tribulus terrestris L.