CAS 2034-72-2 | STIGMASTA-3,5-DIEN-7-ONE | CAS Number 2034-72-2

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2034-72-2 | STIGMASTA-3,5-DIEN-7-ONE

CAS No: 2034-72-2 Catalog No: AG0028VF MDL No:

Product Description

Catalog Number:

AG0028VF

Chemical Name:

STIGMASTA-3,5-DIEN-7-ONE

CAS Number:

2034-72-2

Molecular Formula:

C29H46O

Molecular Weight:

410.6749

IUPAC Name:

(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

InChI:

InChI=1S/C29H46O/c1-7-21(19(2)3)12-11-20(4)23-13-14-24-27-25(15-17-29(23,24)6)28(5)16-9-8-10-22(28)18-26(27)30/h8,10,18-21,23-25,27H,7,9,11-17H2,1-6H3/t20-,21-,23-,24+,25+,27+,28+,29-/m1/s1

InChI Key:

LCFUUGFUQQAYMY-CJAQKTMASA-N

SMILES:

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

Properties

Complexity:

714

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

410.355g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

410.686g/mol

Monoisotopic Mass:

410.355g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

9.5

Literature

Title	Journal
Comparison of the triterpenoid content of berries and leaves of lingonberry Vaccinium vitis-idaea from Finland and Poland.	Journal of agricultural and food chemistry 20120516
Preliminary study on biomarkers for the fungal resistance in Vitis vinifera leaves.	Journal of plant physiology 20080526