Triterpenoids

Cimiside A

升麻苷A

PHY-NP-00087 · Natural product research catalog

Catalog number	PHY-NP-00087
CAS number	152685-90-0
Molecular formula	C₃₅H₅₆O₁₀
Molecular weight	636.823 g/mol
Chemical class	Triterpenoids
Main reported source	Actaea cimicifuga
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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

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Cimiside A 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	(2S,3R,4S,5R)-2-[[(1S,2R,3S,4R,7R,9S,12R,14R,16R,17R,18R,19R,21R,22S)-2,16-dihydroxy-22-(2-hydroxypropan-2-yl)-3,8,8,17,19-pentamethyl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosan-9-yl]oxy]oxane-3,4,5-triol
SMILES	C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4([C@@H](C[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)C)O2)C(C)(C)O
InChIKey	JKPGINPCCVKTKQ-NCOMMUCESA-N
Subclass / scaffold	Cucurbitane triterpenoids Cycloartane triterpenoids；皂苷/苷
PubChem CID	10054869

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

View additional properties & classification

Ring count	8
Aromatic rings	0
Fraction Csp³	1.0
Synthetic accessibility score	7.49
QED score	0.254
Lipinski rule violations	2
NPClassifier pathway	Terpenoids
NPClassifier superclass	Triterpenoids
NPClassifier class	Cucurbitane triterpenoids；Cycloartane triterpenoids
Parent SMILES	C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46C[C@@H](O)[C@]2(C)[C@@H]13
Parent formula	C₃₅H₅₆O₁₀
Parent molecular weight	636.823
Specified stereocenters	18
Unspecified stereocenters	0

Main reported source	Actaea cimicifuga
Reported source families	Ranunculaceae

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

View occurrence records & references

LOTUS / Wikidata species	Actaea cimicifuga[2]; Actaea elata[1]; Actaea europaea[1]; Actaea yunnanensis[1]
All reported source families	Ranunculaceae[4]
LOTUS species records	4
LOTUS reference records	3
COCONUT occurrence records	Actaea cimicifuga; Actaea elata; Actaea europaea; Actaea yunnanensis; Cimicifuga foetida
COCONUT organism records	5
COCONUT identifier	CNP0251131.4

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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