Diterpenoids

Diosbulbin I

黄独素I

PHY-NP-02567 · Natural product research catalog

Catalog number	PHY-NP-02567
CAS number	1187951-05-8
Molecular formula	C₂₉H₃₀O₈
Molecular weight	506.551 g/mol
Chemical class	Diterpenoids
Main reported source	Dioscorea bulbifera
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Diosbulbin I is listed in the Diterpenoids 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,2S,3S,5S,8S,10S,11R,13R)-8-(furan-3-yl)-10-methyl-6,15-dioxo-7,14-dioxatetracyclo[11.2.1.02,11.05,10]hexadecan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILES	C[C@@]12C[C@H](OC(=O)[C@H]1C[C@@H]([C@H]3[C@H]2C[C@@H]4C[C@H]3C(=O)O4)OC(=O)/C=C/C5=CC=C(C=C5)OC)C6=COC=C6
InChIKey	NFXKFVAWBBOWIJ-WBQZIMCXSA-N
Subclass / scaffold	Colensane and Clerodane diterpenoids
PubChem CID	44130233

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

View additional properties & classification

Ring count	6
Aromatic rings	2
Fraction Csp³	0.483
Synthetic accessibility score	5.43
QED score	0.332
Lipinski rule violations	1
NPClassifier pathway	Terpenoids
NPClassifier superclass	Diterpenoids
NPClassifier class	Colensane and Clerodane diterpenoids
Parent SMILES	COc1ccc(/C=C/C(=O)O[C@H]2C[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@@]3(C)[C@@H]3C[C@@H]4C[C@@H](C(=O)O4)[C@@H]23)cc1
Parent formula	C₂₉H₃₀O₈
Parent molecular weight	506.551
Specified stereocenters	8
Unspecified stereocenters	0

Main reported source	Dioscorea bulbifera
Reported source families	Dioscoreaceae

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

View occurrence records & references

LOTUS / Wikidata species	Dioscorea bulbifera[1]
All reported source families	Dioscoreaceae[1]
LOTUS species records	1
LOTUS reference records	1
COCONUT occurrence records	Dioscorea bulbifera
COCONUT organism records	1
COCONUT identifier	CNP0210620.1

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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