CAS 15140-27-9 | Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclohexanecarboxylate (9CI) | CAS Number 15140-27-9

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15140-27-9 | Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclohexanecarboxylate (9CI)

CAS No: 15140-27-9 Catalog No: AG001NBL MDL No:

Product Description

Catalog Number:

AG001NBL

Chemical Name:

Estra-1,3,5(10)-triene-3,17-diol (17β)-, 17-cyclohexanecarboxylate (9CI)

CAS Number:

15140-27-9

Molecular Formula:

C25H34O3

Molecular Weight:

382.5357

IUPAC Name:

[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] cyclohexanecarboxylate

InChI:

InChI=1S/C25H34O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h8,10,15-16,20-23,26H,2-7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1

InChI Key:

IVRCALGRJCHPRV-BZDYCCQFSA-N

SMILES:

O=C(C1CCCCC1)O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O

EC Number:

239-202-0

UNII:

DI3496530P

Properties

Complexity:

582

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

382.251g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

382.544g/mol

Monoisotopic Mass:

382.251g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.7

Literature

Title	Journal
A new model of vaginal infection by Candida albicans in rats.	Mycopathologia 20101101
The influence of estrogen on liver regeneration: an experimental study in rats.	Acta cirurgica brasileira 20090101
Implants of polyanionic collagen matrix in bone defects of ovariectomized rats.	Journal of materials science. Materials in medicine 20080301