1-Deacetylnimbolinin B

CAS	76689-98-0
IUPAC Name	[(1R,2R,4R,6S,8R,11R,12S,13R,16R,17R,19S,20R)-17-acetyloxy-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] (E)-2-methylbut-2-enoate
Molecular Weight	584.71
Molecular Formula	C33H44O9
Canonical SMILES	C/C=C(\C)/C(=O)O[C@@H]1[C@H]2[C@H]3[C@](CO2)([C@@H](C[C@@H]([C@@]3([C@@H]4[C@@]1(C5=C([C@@H](C[C@@H]5O[C@H](C4)O)C6=COC=C6)C)C)C)O)OC(=O)C)C
InChI	InChI=1S/C33H44O9/c1-8-16(2)30(37)42-29-27-28-31(5,15-39-27)24(40-18(4)34)13-23(35)32(28,6)22-12-25(36)41-21-11-20(19-9-10-38-14-19)17(3)26(21)33(22,29)7/h8-10,14,20-25,27-29,35-36H,11-13,15H2,1-7H3/b16-8+/t20-,21+,22-,23+,24-,25-,27-,28+,29-,31-,32+,33-/m1/s1
InChI Key	YOBMBNWOJMLHDF-VOYNGPTCSA-N
Boiling Point	665.4±55.0 °C
Purity	98%
Density	1.28±0.1 g/ml
pKa	12.57±0.70
Appearance	Solid