Triterpenoids

11-Oxomogroside II A1

11-氧-罗汉果皂苷II A1

PHY-NP-00071 · Natural product research catalog

Catalog number	PHY-NP-00071
CAS number	942612-74-0
Molecular formula	C₄₂H₇₀O₁₄
Molecular weight	799.008 g/mol
Chemical class	Triterpenoids
Main reported source	Siraitia
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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11-Oxomogroside II A1 is listed in the Triterpenoids 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	(3S,8S,9R,10R,13R,14S,17R)-3-hydroxy-17-[(2R,5R)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
SMILES	C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)[C@H]3CC[C@@]4([C@@]3(CC(=O)[C@@]5([C@H]4CC=C6[C@H]5CC[C@@H](C6(C)C)O)C)C)C
InChIKey	DIMVUFICPPIRQD-CQSXLOEPSA-N
Subclass / scaffold	Cucurbitane triterpenoids Cycloartane triterpenoids；皂苷/苷
PubChem CID	44423071

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

View additional properties & classification

Ring count	6
Aromatic rings	0
Fraction Csp³	0.929
Synthetic accessibility score	6.04
QED score	0.134
Lipinski rule violations	3
NPClassifier pathway	Terpenoids
NPClassifier superclass	Triterpenoids
NPClassifier class	Cucurbitane triterpenoids；Cycloartane triterpenoids
Parent SMILES	C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C
Parent formula	C₄₂H₇₀O₁₄
Parent molecular weight	799.008
Specified stereocenters	19
Unspecified stereocenters	0

Main reported source	Siraitia
Reported source families	Cucurbitaceae

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

View occurrence records & references

All reported source families	Cucurbitaceae[1]
Genus / family records	Siraitia[1]
LOTUS species records	0
LOTUS reference records	1
COCONUT occurrence records	Siraitia; siraitia gros venorii
COCONUT organism records	2
COCONUT identifier	CNP0375327.1

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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