Triterpenoids

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5R)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol

11-脱氧罗汉果苷II-E

PHY-NP-00068 · Natural product research catalog

Catalog number	PHY-NP-00068
CAS number	2170761-38-1
Molecular formula	C₄₂H₇₂O₁₃
Molecular weight	785.025 g/mol
Chemical class	Triterpenoids
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

Select a pack size

Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
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

Final specifications and availability are confirmed in your quotation. No purchase or reservation is made here.

Larger pack sizes available — Request a quote
Request larger pack sizes / bulk quantity ↗
Telephone contact details will be published after launch.

Product information

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5R)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol 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.

Names & identifiers

IUPAC name	(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5R)-6-hydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol
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)O)O)O)[C@H]2CC[C@@]3([C@@]2(CC[C@@]4([C@H]3CC=C5[C@H]4CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)C
InChIKey	MFGRLLKGMUFIPT-XZJZDPMASA-N
Subclass / scaffold	Cucurbitane triterpenoids Cycloartane triterpenoids；皂苷/苷
PubChem CID	139291750

Computed properties

Exact mass (Da)	784.4973	Predicted LogP	2.149
Predicted TPSA (Å²)	218.99	H-bond donors	9
H-bond acceptors	13	Rotatable bonds	11

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

View additional properties & classification

Ring count	6
Aromatic rings	0
Fraction Csp³	0.952
Synthetic accessibility score	5.93
QED score	0.137
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](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[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)CC[C@]12C
Parent formula	C₄₂H₇₂O₁₃
Parent molecular weight	785.025
Specified stereocenters	19
Unspecified stereocenters	0

Reported natural occurrence

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

View occurrence records & references

LOTUS species records	0
LOTUS reference records	0
COCONUT organism records	0

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

Documents & specifications

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

Request applicable documentation and handling information before ordering or use.