(5R,9R,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione



Compound number:
MolPort-003-665-589
CAS number: 14930-96-2
IUPAC:
(5R,9R,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-2H,5H,6H,7H,8H,9H,10H,12aH,13H,14H,15H,15aH,16H,17H,18H-oxacyclotetradeca[3,2-e]isoindole-2,18-dione
IUPAC traditional:
cytochalasin B
SMILES:
C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]22OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@H]2[C@H](O)C1=C |r,t:20,30|
InChI key:
GBOGMAARMMDZGR-TYHYBEHESA-N
Molecular formula:
C29H37NO5
Molecular weight: 479.617
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-003-665-589
CAS number: 14930-96-2

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000003932776
MFCD00077704
(3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-5,13-dihydroxy-9,15-dimethyl-14-methylene-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione
Cytochalasin A
Cytochalasin B
Cytochalasin B, Helminthosporium dematioideum

InChI
InChI: 1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1
InChI key: GBOGMAARMMDZGR-TYHYBEHESA-N

Calculated Properties
Molecular formula: C29H37NO5
Molecular weight: 479.617

Other

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