CAS 23044-80-6 | Cholest-7-en-6-one, 2,3,11,14,20,22-hexahydroxy-, (2β,3β,5β,11α,22R)- | CAS Number 23044-80-6

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23044-80-6 | Cholest-7-en-6-one, 2,3,11,14,20,22-hexahydroxy-, (2β,3β,5β,11α,22R)-

CAS No: 23044-80-6 Catalog No: AG002LZQ MDL No:MFCD18642017

Product Description

Catalog Number:

AG002LZQ

Chemical Name:

Cholest-7-en-6-one, 2,3,11,14,20,22-hexahydroxy-, (2β,3β,5β,11α,22R)-

CAS Number:

23044-80-6

Molecular Formula:

C27H44O7

Molecular Weight:

480.6341

MDL Number:

MFCD18642017

IUPAC Name:

(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-2,3,11,14-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one

InChI:

InChI=1S/C27H44O7/c1-14(2)6-7-22(32)26(5,33)21-8-9-27(34)16-11-17(28)15-10-18(29)19(30)12-24(15,3)23(16)20(31)13-25(21,27)4/h11,14-15,18-23,29-34H,6-10,12-13H2,1-5H3/t15-,18+,19-,20+,21-,22+,23+,24-,25+,26+,27+/m0/s1

InChI Key:

LQGNCUXDDPRDJH-UKTRSHMFSA-N

SMILES:

CC(CC[C@H]([C@@]([C@H]1CC[C@@]2([C@]1(C)C[C@@H](O)[C@H]1C2=CC(=O)[C@H]2[C@]1(C)C[C@H](O)[C@@H](C2)O)O)(O)C)O)C

Properties

Complexity:

856

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

480.309g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

480.642g/mol

Monoisotopic Mass:

480.309g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

138A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7

Literature

Title	Journal
Simultaneous determination of three phytoecdysteroids in the roots of four medicinal plants from the genus Asparagus by HPLC.	Phytochemical analysis : PCA 20090101
Ecdysteroids from a Zoanthus sp.	Journal of natural products 20020801
Phytoecdysteroids from the juice of Serratula coronata L. (Asteraceae).	Insect biochemistry and molecular biology 20020201