Yuanhuadine

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

MedKoo CAT#: 341277

CAS#: 76402-66-9

Description: Yuanhuadine is a biochemical.


Chemical Structure

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Yuanhuadine
CAS# 76402-66-9

Theoretical Analysis

MedKoo Cat#: 341277
Name: Yuanhuadine
CAS#: 76402-66-9
Chemical Formula: C32H42O10
Exact Mass: 586.2778
Molecular Weight: 586.678
Elemental Analysis: C, 65.51; H, 7.22; O, 27.27

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: Yuanhuadine;

IUPAC/Chemical Name: Simplexin, 12-(acetyloxy)-22,23,24,25-tetradehydro-, (12-beta,22E,24E)-

InChi Key: NHELFTYSELEEFD-DDRSGVFGSA-N

InChi Code: InChI=1S/C32H42O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h11-15,19,21-22,24-27,33,36-37H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21+,22+,24+,25-,26+,27-,28+,29-,30+,31+,32-/m1/s1

SMILES Code: O=C1C(C)=C[C@@H]2[C@@]3(O[C@@]4(/C=C/C=C/CCCCC)O[C@@](C(C)=C)([C@H]([C@H]3C)OC(C)=O)[C@H]5O4)[C@H]5[C@@H](O6)[C@@]6(CO)[C@@H](O)[C@@]12O

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: >2 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

Preparing Stock Solutions

The following data is based on the product molecular weight 586.678 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

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6: Hong JY, Chung HJ, Lee HJ, Park HJ, Lee SK. Growth inhibition of human lung cancer cells via down-regulation of epidermal growth factor receptor signaling by yuanhuadine, a daphnane diterpene from Daphne genkwa. J Nat Prod. 2011 Oct 28;74(10):2102-8. doi: 10.1021/np2003512. Epub 2011 Sep 14. PubMed PMID: 21916433.

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9: Zhang S, Li X, Zhang F, Yang P, Gao X, Song Q. Preparation of yuanhuacine and relative daphne diterpene esters from Daphne genkwa and structure-activity relationship of potent inhibitory activity against DNA topoisomerase I. Bioorg Med Chem. 2006 Jun 1;14(11):3888-95. Epub 2006 Feb 20. PubMed PMID: 16488610.

10: Ding GS. Important Chinese herbal remedies. Clin Ther. 1987;9(4):345-57. PubMed PMID: 3607815.

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