Alkaloids

Cytochalasin D

细胞松弛素D

PHY-NP-09038 · Natural product research catalog

Catalog number	PHY-NP-09038
CAS number	22144-77-0
Molecular formula	C₃₀H₃₇NO₆
Molecular weight	507.627 g/mol
Chemical class	Alkaloids
Main reported source	Ascochyta rabiei
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Cytochalasin D is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
SMILES	C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O
InChIKey	SDZRWUKZFQQKKV-JHADDHBZSA-N
Subclass / scaffold	Pseudoalkaloids：Cytochalasan alkaloids
PubChem CID	5458428

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	4
Aromatic rings	1
Fraction Csp³	0.5
Synthetic accessibility score	5.89
QED score	0.428
Lipinski rule violations	1
NPClassifier pathway	Alkaloids
NPClassifier superclass	Pseudoalkaloids
NPClassifier class	Cytochalasan alkaloids
Parent SMILES	C=C1[C@@H](C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](OC(C)=O)/C=C/[C@@](C)(O)C(=O)[C@@H](C)C/C=C/[C@H]3[C@@H]1O
Parent formula	C₃₀H₃₇NO₆
Parent molecular weight	507.627
Specified stereocenters	9
Unspecified stereocenters	0

Main reported source	Ascochyta rabiei
Reported source families	Didymellaceae; Xylariaceae; Clavicipitaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Ascochyta rabiei[1]; Didymella rabiei[1]; Engleromyces goetzei[1]; Hypocrella bambusae[1]; Hypoxylon terricola[1]; Metarhizium anisopliae[1]; Mycosphaerella rabiei[1]; Zygosporium masonii[1]
All reported source families	Didymellaceae[2]; Xylariaceae[2]; Clavicipitaceae[2]; Mycosphaerellaceae[1]
LOTUS species records	8
LOTUS reference records	6
COCONUT occurrence records	Coriolus vernicipes; Engleromyces goetzii; Hypoxylon terricola; Metarrhizium anisopliae; Zygosporium masonii
COCONUT organism records	5
COCONUT identifier	CNP0402226.1

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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