3,4-Secolupa-4(23),20(29)-Diene-3,28-Dioic Acid

CAS	36138-41-7
Synonyms	18-Norandrostane-4-propanoic acid, 13-carboxy-4,9-dimethyl-3,15-bis(1-methylethenyl)-, (3α,4β,5β,8α,9β,10α,13α,14β,15β)-
IUPAC Name	(3S,4S,5R,8R,9R,10R,13S,14R,15R)-4-(2-carboxyethyl)-4,9,10-trimethyl-3,15-bis(prop-1-en-2-yl)-2,3,5,6,7,8,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-13-carboxylic acid
Molecular Weight	470.69
Molecular Formula	C30H46O4
Canonical SMILES	CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@H]4[C@]([C@@]3(CC2)C)(CC[C@H]([C@]4(C)CCC(=O)O)C(=C)C)C)C(=O)O
InChI	InChI=1S/C30H46O4/c1-18(2)20-10-15-30(26(33)34)17-16-28(6)22(25(20)30)8-9-23-27(5,13-12-24(31)32)21(19(3)4)11-14-29(23,28)7/h20-23,25H,1,3,8-17H2,2,4-7H3,(H,31,32)(H,33,34)/t20-,21-,22+,23+,25+,27-,28+,29+,30-/m0/s1
InChI Key	OCFWERYSZNWGQD-RGAAFHQASA-N
Boiling Point	585.9±50.0 °C
Purity	98%
Density	1.071±0.06 g/ml
pKa	4.61±0.70
Appearance	Solid