(1R,4S,5'S,6R,8R,13R,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-(4-methylpent-2-en-2-yl)spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

HCID 64930

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Basic information

CAS: 119719-24-3
Standard SMILES: CON=C1C[C@]2(C[C@@H]3C[C@@H](CC=C(C)C[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)OC(C(C)=CC(C)C)[C@H]1C
InChIKey: YZBLFMPOMVTDJY-HVSOIUDZSA-N
Molecular formula: C37H53NO8
Average molar mass: 639.8 g/mol
Monoisotopic mass: 639.37711765

Names & identifiers

Preferred name: (1R,4S,5'S,6R,8R,13R,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-(4-methylpent-2-en-2-yl)spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
IUPAC: (1R,4S,5'S,6R,8R,13R,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-(4-methylpent-2-en-2-yl)spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one

Names & synonyms

DTXSID00923088119719-24-3(2'R,5'S,6R,11R,15S,17aR,20R,20aR,20bS)-20,20b-Dihydroxy-4'-(methoxyimino)-5',6,8,19-tetramethyl-6'-(4-methylpent-2-en-2-yl)-6,7,10,11,14,15,17a,20,20a,20b-decahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-oxan]-17-one20,20b-Dihydroxy-4'-(methoxyimino)-5',6,8,19-tetramethyl-6'-(4-methylpent-2-en-2-yl)-6,7,10,11,14,15,17a,20,20a,20b-decahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,

Database identifiers

CAS: 119719-24-3
PubChem CID: 64930
DTXSID: DTXSID00923088

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 116 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 9
Rotatable bonds: 3
Heavy atoms: 46
Formal charge: 0
Complexity: 1,340

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