CAS 26263-39-8 | 6a,8-Methano-6aH-cyclopropa[b]phenanthrene-4-carboxylic acid, tetradecahydro-4,7a,9b-trimethyl-, (4S,4aS,6aS,7aR,8S,8aR,9aR,9bS)- | CAS Number 26263-39-8

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26263-39-8 | 6a,8-Methano-6aH-cyclopropa[b]phenanthrene-4-carboxylic acid, tetradecahydro-4,7a,9b-trimethyl-, (4S,4aS,6aS,7aR,8S,8aR,9aR,9bS)-

CAS No: 26263-39-8 Catalog No: AG002SIZ MDL No:

Product Description

Catalog Number:

AG002SIZ

Chemical Name:

6a,8-Methano-6aH-cyclopropa[b]phenanthrene-4-carboxylic acid, tetradecahydro-4,7a,9b-trimethyl-, (4S,4aS,6aS,7aR,8S,8aR,9aR,9bS)-

CAS Number:

26263-39-8

Molecular Formula:

C20H30O2

Molecular Weight:

302.4510

IUPAC Name:

(1S,4S,5S,9S,10R,12R,13R,14S)-5,9,13-trimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylic acid

InChI:

InChI=1S/C20H30O2/c1-17-6-4-7-18(2,16(21)22)14(17)5-8-20-10-13-12(9-15(17)20)19(13,3)11-20/h12-15H,4-11H2,1-3H3,(H,21,22)/t12-,13+,14+,15+,17-,18+,19-,20+/m1/s1

InChI Key:

FLGAFUAMEXILLB-BCXNIRJGSA-N

SMILES:

OC(=O)[C@@]1(C)CCC[C@@]2([C@@H]1CC[C@]13[C@H]2C[C@@H]2[C@H](C1)[C@@]2(C3)C)C

Properties

Complexity:

570

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

302.225g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

302.458g/mol

Monoisotopic Mass:

302.225g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6

Literature

Title	Journal
Ent-trachyloban-19-oic acid isolated from Iostephane heterophylla as a promising antibacterial agent against Streptococcus mutans biofilms.	Fitoterapia 20120401
Interference of methyl trachyloban-19-oate ester with CF(0) of spinach chloroplast H(+)-ATPase.	Archives of biochemistry and biophysics 20031001