(2S,3R,4R,5S,6S)-3-(acetyloxy)-2-{[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyl-5-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-4-yl (2E)-3-phenylprop-2-enoate

Compound number:
MolPort-005-945-984
CAS number: 116084-90-3
IUPAC:
(2S,3R,4R,5S,6S)-3-(acetyloxy)-2-{[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyl-5-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-4-yl (2E)-3-phenylprop-2-enoate
IUPAC traditional:
(2S,3R,4R,5S,6S)-3-(acetyloxy)-2-{[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.0²,⁴]dec-7-en-5-yl]oxy}-6-methyl-5-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-4-yl (2E)-3-phenylprop-2-enoate
SMILES:
C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](OC(C)=O)[C@H](OC(=O)\C=C\c2ccccc2)[C@H]1OC(=O)\C=C\c1ccccc1 |r,c:15|
InChI key:
PCHWYSGBVKSPAM-VNWDAGECSA-N
Molecular formula:
C41H46O17
Molecular weight: 810.802
Solubility: not available

Marketplace Offers

S&H to USA: 145.00 USD
S&H to World: 175.00 USD

Supplier Catalogue Data


Catalog: Screening compound Ships out: 15 business days Purity: 91
Last updated: this week In warehouse: 2.00 mg
Pack size Ships out Price Qty
1 mg March 9, 2020 248.40 USD
ADD TO CART
2 mg March 9, 2020 319.70 USD
ADD TO CART

More Information

Compound Identifiers
Compound number: MolPort-005-945-984
CAS number: 116084-90-3

Names, Synonyms and 3rd Party Identifiers
Name: ZINC000253389528
Scropolioside B

InChI
InChI: 1S/C41H46O17/c1-21-33(54-27(45)15-13-23-9-5-3-6-10-23)35(55-28(46)16-14-24-11-7-4-8-12-24)36(52-22(2)44)40(51-21)56-34-25-17-18-50-38(29(25)41(20-43)37(34)58-41)57-39-32(49)31(48)30(47)26(19-42)53-39/h3-18,21,25-26,29-40,42-43,47-49H,19-20H2,1-2H3/b15-13+,16-14+/t21-,25+,26+,29+,30+,31-,32+,33-,34-,35+,36+,37-,38-,39-,40-,41+/m0/s1
InChI key: PCHWYSGBVKSPAM-VNWDAGECSA-N

Calculated Properties
Molecular formula: C41H46O17
Molecular weight: 810.802

Other

Sales contact

+1 215 717 7447

+371 67790398

sales@molport.com


Our customer services department will be happy to help you Monday to Friday 7 a.m. to 9 p.m. GMT (2 a.m. - 4 p.m. EST).


2020 MolPort, v3.4, release date 13-02-2020 13:00 (+0200). All rights reserved.
This website or its third-party tools use cookies, which are necessary to its functioning and require to achieve the purposes illustrated in the Cookie Policy. If you want to know more or withdraw your consent to all or some of the cookies, please refer to the Cookie Policy. By clicking on Agree and closing this banner, scrolling this page, clicking a link or continuing to browse otherwise, you agree to the use of cookies.