(1S,2S,5R,6R,7R,10S,12R,13R)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0~1,10~.0~2,7~]hexadecane-5,13-diol

Basic Information

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CAS Number

38966-21-1

Molecular Formula

C20H34O4

Molecular Weight

338.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

227-233 ºC (ethyl acetate )

Boiling Point

394.61°C (rough estimate)

Water Solubility

Soluble in DMSO or methanol. Insoluble in water. Store solutions at -20°

Flash Point

87℃

Solubility

Insuluble (4.7E-3 g/L) (25 ºC),

Refractive Index

1.4434 (estimate)

Specific Rotation

D27 +12° (c = 1 in methanol)

SMILES

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CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O

InChI

InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1

InChIKey

NOFOAYPPHIUXJR-APNQCZIXSA-N

LogP

2.0858000000000008

Topological Polar Surface Area

80.92 Å²

Hydrogen Bond Donor/Acceptor

4 / 4

Complexity

524

Safety Information

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Sensitiveness

light-sensitive

Synonyms & References

English

ACon0_000080
(+/-)-Aphidicolin
CHEMBL29711
Bio1_000648
Aphidicolin, analytical standard
3alpha,16,17,18-tetrahydroxyaphidicolone
APHIDICOLIN [MI]
Q27453425
IDI1_033908
HMS1791H20
BCBcMAP01_000163
6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R,10S,12R,13R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol (Aphidicolin)
ICI-69653
Bio2_000638
Aphidicolin - CAS 38966-21-1
CBiol_001873
Rel-(3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol
6B3F8QW8TU
HMS1361H20
KBioSS_000158
6,13-di(hydroxymethyl)-2,6-dimethyl-(1S,2S,5R,6R,7R)-tetracyclo[10.3.1.01,10.02,7]hexadecane-5,13-diol
Bio1_000159
HB3690
8,11a-Methano-11ah-cyclohepta(a)naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-rel-
NSC234714
8,11a-Methano-11aH-cyclohepta(a)naphthalene-4,9-dimethanol, tetradecahydro-3,9-dihydroxy-4,11b-dimethyl-, (3R-(3-alpha,4-alpha,4a-alpha,6a-beta,8-beta,9-beta,11a-beta,11b-beta))-
HMS1989H20
BRN 4689958
ICI 69653
Aphidicolin from Nigrospora sphaerica, >=98% (HPLC), powder
BA162709

MDL Number

MFCD00083214

FAQ

What regulatory guidelines apply to (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0~1,10~.0~2,7~]hexadecane-5,13-diol (CAS: 38966-21-1)?

This compound must comply with GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous substance due to its properties, and manufacturers and suppliers must provide safety data sheets (SDS) and comply with labeling and handling guidelines as per GHS. Under REACH, registration, authorization, and restriction measures may apply based on the substance's properties and intended use. FDA/EPA regulations may also apply depending on the intended market and use of the compound.

Are there alternatives to (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0~1,10~.0~2,7~]hexadecane-5,13-diol (CAS: 38966-21-1) in synthesis?

There are several alternatives to this compound in synthesis, including similar isomers and analogs. For instance, (1R,2R,5S,6S,7S,10R,12S,13S)-6,13-bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0~1,10~.0~2,7~]hexadecane-5,13-diol is a close analog. Other substitutes might include alternative reagents like diols or saponified glycerides, which can be used as raw materials in various chemical processes.

What is the market or research trend for (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0~1,10~.0~2,7~]hexadecane-5,13-diol (CAS: 38966-21-1)?

The market trend for this compound is driven by its use in specialized applications such as pharmaceuticals and cosmetics. Research is focusing on its potential in biomedical applications, including drug delivery systems and skin care products. The compound's unique structure makes it a valuable tool in these fields. However, market dynamics and research trends can vary based on regional demand and regulatory changes.

How should waste containing (1S,2S,5R,6R,7R,10S,12R,13R)-6,13-Bis(hydroxymethyl)-2,6-dimethyltetracyclo[10.3.1.0~1,10~.0~2,7~]hexadecane-5,13-diol (CAS: 38966-21-1) be handled?

Waste containing this compound should be collected and stored in secure containers to prevent leaks or spills. It should be handled in accordance with regulatory guidelines to minimize environmental impact. Incineration or professional waste disposal services are recommended for safe disposal. Proper environmental protection measures, such as containment and neutralization of waste, should be implemented to ensure compliance with environmental regulations.