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MedKoo Cat#: 564892 | Name: Novolactone

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Novolactone is a natural inhibitor of the allosteric regulation of Hsp70.

Chemical Structure

Novolactone
Novolactone
CAS#NONE

Theoretical Analysis

MedKoo Cat#: 564892

Name: Novolactone

CAS#: NONE

Chemical Formula: C19H26O4

Exact Mass: 318.1831

Molecular Weight: 318.41

Elemental Analysis: C, 71.67; H, 8.23; O, 20.10

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Novolactone
IUPAC/Chemical Name
(2aS,2bS,3R,4aR,5R,8aS,8bS,10aS)-2b,3-Dihydroxy-2a,5-dimethyl-6-vinyl-2a,2b,3,4,4a,5,8,8a,8b,9,10,10a-dodecahydro-2H-phenanthro[2,1-b]oxet-2-one
InChi Key
QCRSGWLSSYLDRN-OCDQBGJXSA-N
InChi Code
InChI=1S/C19H26O4/c1-4-11-5-6-12-13(10(11)2)9-15(20)19(22)14(12)7-8-16-18(19,3)17(21)23-16/h4-5,10,12-16,20,22H,1,6-9H2,2-3H3/t10-,12-,13-,14-,15+,16-,18+,19+/m0/s1
SMILES Code
O=C1[C@@]2(C)[C@@](CC[C@@]3([H])[C@@]4([H])CC=C(C=C)[C@H](C)[C@]4([H])C[C@@H](O)[C@]32O)([H])O1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 318.41 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Stetz G, Verkhivker GM. Probing Allosteric Inhibition Mechanisms of the Hsp70 Chaperone Proteins Using Molecular Dynamics Simulations and Analysis of the Residue Interaction Networks. J Chem Inf Model. 2016 Aug 22;56(8):1490-517. doi: 10.1021/acs.jcim.5b00755. Epub 2016 Aug 1. PubMed PMID: 27447295. 2: Hassan AQ, Kirby CA, Zhou W, Schuhmann T, Kityk R, Kipp DR, Baird J, Chen J, Chen Y, Chung F, Hoepfner D, Movva NR, Pagliarini R, Petersen F, Quinn C, Quinn D, Riedl R, Schmitt EK, Schitter A, Stams T, Studer C, Fortin PD, Mayer MP, Sadlish H. The novolactone natural product disrupts the allosteric regulation of Hsp70. Chem Biol. 2015 Jan 22;22(1):87-97. doi: 10.1016/j.chembiol.2014.11.007. Epub 2014 Dec 24. PubMed PMID: 25544045.