CAS 11051-90-4 Condurango Glycoside A - Carboxyl / Alfa Chemistry

Catalog Number	ACM11051904-1
Product Name	Condurango Glycoside A
CAS Number	11051-90-4
Structure
IUPAC Name	[(3S,5S,8R,9S,10S,11S,12S,13S,14S,17S)-17-acetyl-11-acetyloxy-3-[(2R,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-12-yl] (E)-3-phenylprop-2-enoate
Molecular Weight	987.2
Molecular Formula	C53H78O17
Canonical SMILES	CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C(C4)CCC6C5C(C(C7(C6(CCC7C(=O)C)O)C)OC(=O)C=CC8=CC=CC=C8)OC(=O)C)C)C)C)O)OC)O
Inchi	InChI=1S/C53H78O17/c1-27(54)35-21-23-53(59)36-18-17-33-24-34(20-22-51(33,6)42(36)47(66-31(5)55)49(52(35,53)7)68-39(56)19-16-32-14-12-11-13-15-32)67-40-25-37(60-8)45(29(3)63-40)69-41-26-38(61-9)46(30(4)64-41)70-50-44(58)48(62-10)43(57)28(2)65-50/h11-16,19,28-30,33-38,40-50,57-59H,17-18,20-26H2,1-10H3/b19-16+/t28-,29-,30-,33+,34+,35-,36-,37+,38-,40+,41+,42-,43-,44-,45-,46-,47+,48-,49-,50+,51+,52+,53+/m1/s1
InChIKey	ZKWQLHAAXWFVPF-BZBRNGFYSA-N
Purity	98%
Appearance	Powder