Cervinomycin A2

3-hydroxy-23,24-dimethoxy-10-methyl-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone

Also Known As: Cervinomycin A2|Antibiotic 167B|Not named|Antibiotic 4181A|Cerubinomycin A2|Antibiotic 4181-A|Antibiotic AM-5344A2|167-B|AM-5344A2|TN7827|HY-W748013|4181-A|(1)Benzopyrano(2',3':6,7)naphth(2,1-g)oxazolo(3,2-b)isoquinoline-8,14,15,17-tetrone, 1,2,3a,4-tetrahydro-11,12-dimethoxy-16-hydroxy-3a-methyl-, (-)-|16-hydroxy-11,12-dimethoxy-3a-methyl-1,2,3a,4-tetrahydrochromeno[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-8,14,15,17-tetrone|3-hydroxy-23,24-dimethoxy-10-methyl-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone|1,2,3a,4-Tetrahydro-16-hydroxy-11,12-dimethoxy-3a-methyl-[1]benzopyrano[2 ,3 :6,7]naphth[2,1-g]oxazolo[3,2-b]isoquinoline-8,14,15,17-tetrone|16-Hydroxy-11,12-dimethoxy-3a-methyl-1,2,3a,4-tetrahydro[1]benzopyrano[2',3':6,7]naphtho[2,1-g][1,3]oxazolo[3,2-b]isoquinoline-8,14,15,17-tetrone|3-hydroxy-23,24-dimethoxy-10-methyl-9,20-dioxa-6-azaheptacyclo(15.12.0.02,14.04,12.06,10.019,28.021,26)nonacosa-1(17),2,4(12),13,15,19(28),21,23,25-nonaene-5,18,27,29-tetrone|3-hydroxy-23,24-dimethoxy-10-methyl-9,20-dioxa-6-azaheptacyclo[15.12.0.02,14.04,12.06,10.019,28.021,26]nonacosa-1,3,12,14,16,19(28),21,23,25-nonaene-5,18,27,29-tetrone

Molecular Formula	C29H21NO9
Molecular Weight	527.12164 g/mol
LogP	3.8
Topological Polar Surface Area	129.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	2
Exact Mass	527.12164
Monoisotopic Mass	527.12164
Heavy Atoms	39
Complexity	1170.0

Chemical Identifiers

CAS Number	87604-92-0
SMILES	CC12CC3=C(C(=C4C(=C3)C=CC5=C4C(=O)C6=C(C5=O)OC7=CC(=C(C=C7C6=O)OC)OC)O)C(=O)N1CCO2
InChIKey	ORJRBJIJTSDUCG-UHFFFAOYSA-N