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(4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-7-Hydroxy-7-(2-hydroxyacetyl)-4a,6a,8-trimethyl-5a,6,6a,7,8,9,9a,9b,10,11-decahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-2(4aH)-one - 97%, high purity , CAS No.981-34-0

COA

Grade & Purity:

≥97%

Cas Number: 981-34-0
Molecular Weight: 372.44
PubChem CID: 101933
PubChem SID: 504756502

In stock

Item Number

A196139

Grouped product items
SKU	Size	Availability	Price
A196139-100mg	100mg	3	$89.90
A196139-250mg	250mg	3	$154.90
A196139-1g	1g	3	$343.90
A196139-5g	5g	2	$1,029.90
A196139-25g	25g	2	$3,089.90

Basic Description

Synonyms	DTXSID601020538 \| Sulfanilamide, N(1)-(5-methyl-3-isoxazolyl)- \| 16-beta-Methyl epoxide \| AKOS017343721 \| 9beta,11beta-Epoxy-17,21-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione \| 5-25-12-00525 (Beilstein Handbook Reference) \| M9AY9BSI41 \| Q27283711 \|
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Iridoids and derivatives
Alternative Parents	Oxepanes Tertiary alcohols Alpha-hydroxy ketones Cyclic ketones Cyclic alcohols and derivatives Oxacyclic compounds Epoxides Dialkyl ethers Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	11-noriridane monoterpenoid - Oxepane - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Ketone - Cyclic ketone - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxide - Primary alcohol - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504756502
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756502
IUPAC Name	(1S,2S,10S,11S,13S,14R,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,13,15-trimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
INCHI	InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,18-,19-,20-,21-,22+/m0/s1
InChIKey	GBDXNHBVYAMODG-DEGNENOVSA-N
Smiles	CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)CO)O)C)C
Isomeric SMILES	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)CO)O)C)C
PubChem CID	101933
Molecular Weight	372.44

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
F2209213	Certificate of Analysis	Mar 04, 2025	A196139
F2209214	Certificate of Analysis	Mar 04, 2025	A196139
F2209211	Certificate of Analysis	Mar 04, 2025	A196139
F2209212	Certificate of Analysis	Mar 04, 2025	A196139
F2209209	Certificate of Analysis	Mar 04, 2025	A196139

Chemical and Physical Properties

Molecular Weight	372.500 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	372.194 Da
Monoisotopic Mass	372.194 Da
Topological Polar Surface Area	87.100 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	814.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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