Yadanziolide B

Basic Information

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CAS Number

95258-13-2

Molecular Formula

C20H26O11

Molecular Weight

442.42 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Boiling Point

765.8±60.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Flash Point

271.9±26.4 °C

Vapor Pressure

0.0±5.9 mmHg at 25°C

SMILES

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CC1=CC(=O)C(C2(C1C(C3C45C2C(C(C(C4(C(C(=O)O3)O)O)(OC5)CO)O)O)O)C)O

InChI

InChI=1S/C20H26O11/c1-6-3-7(22)12(25)17(2)8(6)9(23)15-18-5-30-19(4-21,13(26)10(24)11(17)18)20(18,29)14(27)16(28)31-15/h3,8-15,21,23-27,29H,4-5H2,1-2H3/t8-,9-,10-,11-,12-,13+,14+,15-,17+,18+,19-,20+/m1/s1

InChIKey

QPBBQXZJTIVCTO-VWXLKGNHSA-N

LogP

-4.009999999999995

Topological Polar Surface Area

194.20999999999998 Å²

Hydrogen Bond Donor/Acceptor

7 / 11

Complexity

904

Synonyms & References

English

(+)-13,20-Epoxy-1β,6α,11β,12α,14,15β,21-heptahydroxypicrasa-3-ene-2,16-dione
Yadanziolide B
Q27137286
(1β,6α,11β,12α,15β)-13,20-Epoxy-1,6,11,12,14,15,21-heptahydroxypicras-3-ene-2,16-dione (ACI)
2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-ene-2,16-dione deriv. (ZCI)
CS-0144048
DA-68756
(1R,2R,3R,6S,7R,8S,12S,13S,14R,15R,16S,17R)-2,3,7,12,15,16-hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
AKOS040760760
95258-13-2
HY-N8399
CHEMBL1923105
(1R,2R,3R,6S,7R,8S,12S,13S,14R,15R,16S,17R)-2,3,7,12,15,16-hexahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo(12.5.0.01,6.02,17.08,13)nonadec-9-ene-4,11-dione
CHEBI:68932
(1beta,6alpha,11beta,12alpha,15beta)-1,6,11,12,14,15,21-heptahydroxy-13,20-epoxypicras-3-ene-2,16-dione

FAQ

What regulatory guidelines apply to Yadanziolide B (CAS: 95258-13-2)?

Yadanziolide B (CAS: 95258-13-2) falls under the Chemicals of Very High Concern (SVHC) list under the REACH regulation. It may require a safety data sheet (SDS) and registration with ECHA. In the US, the FDA may regulate it under the Toxic Substances Control Act if it is used in consumer products. Additionally, it should comply with local and national hazardous waste regulations.

Are there alternatives to Yadanziolide B (CAS: 95258-13-2) in synthesis?

Yadanziolide B (CAS: 95258-13-2) can often be synthesized using similar structural analogs such as diterpenoids. Common alternatives include (−)-taxadiene or (−)-taxol, which can serve as precursors or substitutes. Other routes might involve using isomers or structurally related compounds depending on the specific application.

What is the market or research trend for Yadanziolide B (CAS: 95258-13-2)?

Research on Yadanziolide B (CAS: 95258-13-2) is mainly focused on its potential biological activities, particularly in anti-inflammatory and anti-cancer applications. Market trends suggest increasing interest in natural product derivatives for medicinal use. However, due to its complexity, large-scale production and commercialization remain challenging.

How should waste containing Yadanziolide B (CAS: 95258-13-2) be handled?

Waste containing Yadanziolide B (CAS: 95258-13-2) should be collected in appropriate containers and stored in a well-ventilated area. Incineration is a common method for disposal, but professional waste disposal services should be used to ensure compliance with environmental protection regulations. It is crucial to follow local hazardous waste management guidelines to prevent environmental contamination.