sodium 2-(4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)ethane-1-sulfonate

Compound number:
MolPort-039-070-083
CAS number: 35807-85-3; 6009-98-9
IUPAC:
sodium 2-(4-{4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)ethane-1-sulfonate
IUPAC traditional:
sodium 2-(4-{4,7-dihydroxy-9a,11a-dimethyl-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanamido)ethanesulfonate
SMILES:
[Na+].CC(CCC(=O)NCCS([O-])(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
InChI key:
IYPNVUSIMGAJFC-UHFFFAOYSA-M
Molecular formula:
C26H44NNaO6S
Molecular weight: 521.69
Sample Reformatting

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S&H to USA: 80.00 USD
S&H to World: 100.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: 98%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
25 mg September 27, 2019 46.00 USD
ADD TO CART
100 mg September 27, 2019 91.00 USD
ADD TO CART
S&H to USA: 80.00 USD
S&H to World: 100.00 USD

Supplier Catalogue Data


Catalog: Building blocks Ships out: 10 business days Purity: 97%
Last updated: > 3 months ago In warehouse: Unverified
Pack size Ships out Price Qty
100 mg September 27, 2019 205.00 USD
ADD TO CART
500 mg September 27, 2019 282.00 USD
ADD TO CART

More Information

Compound Identifiers
Compound number: MolPort-039-070-083
CAS number: 35807-85-3; 6009-98-9

Names, Synonyms and 3rd Party Identifiers
Name: MFCD00036745
MFCD00065451
Sodium 2-((4R)-4-((3R,7R,10S,13R,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonate
Taurochenodeoxycholic acid sodium salt
Tauroursodeoxycholic acid sodium salt

InChI
InChI: 1S/C26H45NO6S.Na/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29;/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1
InChI key: IYPNVUSIMGAJFC-UHFFFAOYSA-M

Calculated Properties
Molecular formula: C26H44NNaO6S
Molecular weight: 521.69

Other

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2019 MolPort, v3.16, release date 11-09-2019 16:00 (+0200). All rights reserved.
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