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Chemical structure of Siaresinol
Triterpenoids

Siaresinol

泰国树脂酸

PHY-NP-01010 · Natural product research catalog

Catalog numberPHY-NP-01010
CAS number511-77-3
Molecular formulaC30H48O4
Molecular weight472.71 g/mol
Chemical classTriterpenoids
Purity / assayConfirmed in quotation and batch COA

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Product information

Siaresinol 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(1S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
SMILESC[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4[C@@H](C(CC5)(C)C)O)C(=O)O)C)C)(C)C)O
InChIKeyKFALHTDSQSJCFC-LLICELPBSA-N
Subclass / scaffoldOleanane triterpenoids
PubChem CID12315525

Computed properties & structure classification

Exact mass (Da)472.3553Predicted LogP6.2044
Predicted TPSA (Ų)77.76H-bond donors3
H-bond acceptors3Rotatable bonds1
Ring count5Aromatic rings0
Fraction Csp³0.9Synthetic accessibility score4.78
QED score0.397Lipinski rule violations1
NPClassifier pathwayTerpenoidsNPClassifier superclassTriterpenoids
NPClassifier classOleanane triterpenoidsParent SMILESCC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O
Parent formulaC30H48O4Parent molecular weight472.71
Specified stereocenters9Unspecified stereocenters0

Structure-derived values from the supplied dataset; not measured batch specifications or experimentally verified activity.

Reported natural occurrence

Main reported sourceSpathodea campanulata
LOTUS / Wikidata speciesSpathodea campanulata(火焰树)[2];Styrax tonkinensis(越南安息香)[1]
Source familiesBignoniaceae[1];Styracaceae[1]
LOTUS species records2
LOTUS reference records3
COCONUT occurrence recordsAcorus calamus;Spathodea campanulata;Styrax benzoin;Styrax tonkinensis
COCONUT organism records4
COCONUT identifierCNP0227579.1

Occurrence records are inherited from the supplied dataset. They do not establish manufacturing origin, batch traceability or independent literature verification. Taxonomic names may include synonyms.

Structure resources

Documents & specifications

Certificate of analysis (COA)Batch-specific document pending; not available in this preview
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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