Cucurbitacin D

CAS	3877-86-9
Structure
Synonyms	(10α,23E)-2β,16α,20,25-Tetrahydroxy-9β-methyl-19-norlanosta-5,23-diene-3,11,22-trione
IUPAC Name	(2S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
Molecular Weight	516.67
Molecular Formula	C30H44O7
Canonical SMILES	C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
InChI	InChI=1S/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-12,17-20,23,31-32,36-37H,10,13-15H2,1-8H3/b12-11+/t17-,18+,19-,20+,23+,27+,28-,29+,30+/m1/s1
InChI Key	SRPHMISUTWFFKJ-QJNWWGCFSA-N
Boiling Point	521.47 °C
Melting Point	151.5 °C
Flash Point	381.4±28.0 °C
Purity	98%
Density	1.08 g/ml
Refractive Index	1.582
pKa	12.66±0.29
Appearance	Powder