(4aR,5aR,7aR,8R,12aR,14aR)-4'-Hydroxy-1,1,5',7a,8,12a-hexamethyl-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabi cyclo[3.1.0]hexan]-2-yl beta-D-xylopyranoside

Basic Information

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CAS Number

27994-11-2

Molecular Formula

C35H52O9

Molecular Weight

616.79 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Solubility

Methanol,DMSO,DMF,Acetontrile

SMILES

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CC1CC2C(OC3(C1C4(CCC56CC57CCC(C(C7CCC6C4(C3O)C)(C)C)OC8C(C(C(CO8)O)O)O)C)O2)C(C)(C)O

InChI

InChI=1S/C35H52O9/c1-17-13-35(27-32(6,43-27)28(39)44-35)42-19-14-31(5)21-8-7-20-29(2,3)22(41-26-25(38)24(37)18(36)15-40-26)9-10-33(20)16-34(21,33)12-11-30(31,4)23(17)19/h8,17-20,22-28,36-39H,7,9-16H2,1-6H3/t17-,18-,19?,20+,22?,23?,24+,25-,26+,27?,28?,30-,31+,32?,33-,34+,35?/m1/s1

InChIKey

GQLUAQZLAZUHEL-NKMZKCBCSA-N

LogP

3.4071000000000033

Topological Polar Surface Area

130.37 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

1210

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

CiMigenol 3-beta-D-xylopyranoside
Q27138585
27994-11-2
1CW26VCP4H
Cimigenol-3-O-
NCGC00258483-01
CIMIGENOL 3-O-.BETA.-D-XYLOPYRANOSIDE
Cimigenoside xyloside
Tox21_200929
AKOS030573698
Cimigenol xyloside
CHEMBL218613
beta-D-Xylopyranoside, (3beta,15alpha,16alpha,23R,24S)-16,23:16,24-diepoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl
.beta.-D-Xylopyranoside, (3.beta.,15.alpha.,16.alpha.,23R,24S)-16,23:16,24-diepoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl
UNII-1CW26VCP4H
(2S,3R,4S,5R)-2-[[(1S,2R,3S,4R,7R,9S,12R,14S,17R,18R,19R,21R,22S)-2-hydroxy-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
A-D-xylpyranoside
CHEBI:70246
cimigenol-3-O-beta-D-xylopyranoside
CIMICIFUGOL XYLOSIDE
CAS-27994-11-2
DTXSID0033334
CIMIGENOL-3-O-beta-D-XYLOSIDE (24S) (CONSTITUENT OF BLACK COHOSH)
Cimigenoside
DTXCID101333859
CIMIGENOL-3-O-.BETA.-D-XYLOSIDE (24S) (CONSTITUENT OF BLACK COHOSH) [DSC]
Cimigoside
b-D-Xylopyranoside, (3b,15a,16a,23R,24S)-16,23:16,24-diepoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl
b-D-Xylopyranoside, (3b,15a,16a,23R,24S)-16,23:16,24-diepoxy-15,25-dihydroxy-9,19-cyclolanosta...
cimigenol 3-O-β-D-xylopyranoside
CIMIGENOL XYLOSIDE

MDL Number

MFCD04039818

FAQ

What regulatory guidelines apply to (4aR,5aR,7aR,8R,12aR,14aR)-4'-Hydroxy-1,1,5',7a,8,12a-hexamethyl-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabi[cyclo[3.1.0]hexan]-2-yl beta-D-xylopyranoside (CAS: 27994-11-2)?

The compound is subject to regulatory guidelines such as REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the European Union, which requires suppliers and manufacturers to register and evaluate the safety of chemicals. Additionally, it falls under the provisions of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes classification and labelling of the chemical based on its physical and health hazards. In the United States, the FDA and EPA may also have specific guidelines and requirements for the handling and use of this compound in pharmaceutical and agricultural applications.

Are there alternatives to (4aR,5aR,7aR,8R,12aR,14aR)-4'-Hydroxy-1,1,5',7a,8,12a-hexamethyl-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabi[cyclo[3.1.0]hexan]-2-yl beta-D-xylopyranoside (CAS: 27994-11-2) in synthesis?

There are several alternatives to this specific compound that can be used in synthesis, including related spiropyrans and xylopyranosides with similar structural features. Common alternatives include simpler spiropyrans that can be more readily synthesized and are widely available in the chemical market. Isomers and structural analogs may also serve as viable alternatives depending on the specific requirements of the synthesis.

What is the market or research trend for (4aR,5aR,7aR,8R,12aR,14aR)-4'-Hydroxy-1,1,5',7a,8,12a-hexamethyl-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabi[cyclo[3.1.0]hexan]-2-yl beta-D-xylopyranoside (CAS: 27994-11-2)?

The market and research trend for this compound suggests an increasing interest in its use as a photoreactive agent and in drug delivery systems. Research is focusing on its potential applications in photochemistry and materials science. Market trends indicate a growing demand in the pharmaceutical sector for compounds with unique optical and chemical properties. However, due to its complex structure, its market availability and application scope are currently limited.

How should waste containing (4aR,5aR,7aR,8R,12aR,14aR)-4'-Hydroxy-1,1,5',7a,8,12a-hexamethyl-1,3,4,6,7,7a,7b,8,9,11a,12,12a,14,14a-tetradecahydro-2H-spiro[cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-10,2'-[3,6]dioxabi[cyclo[3.1.0]hexan]-2-yl beta-D-xylopyranoside (CAS: 27994-11-2) be handled?

Waste containing this compound should be handled with care to ensure environmental safety. Proper waste collection methods should be followed, and the waste should be disposed of according to local and international regulations. Incineration is a common method for waste disposal, as it reduces the volume of waste and destroys hazardous components. Additionally, professional waste disposal services can ensure the safe and compliant disposal of the waste. Environmental protection precautions should be taken to prevent soil and water contamination during the disposal process.