(3S,3aR,4S,6S,6aR,10S,12R,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-1H,2H,3H,3aH,4H,5H,6H,6aH,9H,10H,11H,12H,15H-cycloundeca[e]isoindol-15-yl acetate



Compound number:
MolPort-003-929-647
CAS number: 22144-77-0
IUPAC:
(3S,3aR,4S,6S,6aR,10S,12R,15R,15aR)-3-benzyl-6,12-dihydroxy-4,10,12-trimethyl-5-methylidene-1,11-dioxo-1H,2H,3H,3aH,4H,5H,6H,6aH,9H,10H,11H,12H,15H-cycloundeca[e]isoindol-15-yl acetate
IUPAC traditional:
cytochalasin D
SMILES:
C[C@H]1[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]22[C@@H](\C=C\C[C@H](C)C(=O)[C@](C)(O)\C=C\[C@H]2OC(C)=O)[C@H](O)C1=C |t:18,28|
InChI key:
SDZRWUKZFQQKKV-JHADDHBZSA-N
Molecular formula:
C30H37NO6
Molecular weight: 507.627
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-003-929-647
CAS number: 22144-77-0

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000100058047
MFCD00077706
Cytochalasin D
Cytochalasin D, Zygosporin A
Cytochalasin D, Zygusporium mansonii

InChI
InChI: 1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1
InChI key: SDZRWUKZFQQKKV-JHADDHBZSA-N

Calculated Properties
Molecular formula: C30H37NO6
Molecular weight: 507.627

Other

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